N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

C18H35N3O3S — CID 38027383

IUPACN-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C18H35N3O3S/c1-13(2)17-10-15(11-18(22)19-7-8-21(4)5)14(3)9-16(17)12-20-25(6,23)24/h9,13,15-17,20H,7-8,10-12H2,1-6H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyQYAZTBJIZAOHEN-ULQDDVLXSA-N
MW373.56 g/mol
LogP1.46
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (PubChem CID 38027383) has the molecular formula C18H35N3O3S and a molecular weight of 373.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
PubChem CID38027383
Molecular FormulaC18H35N3O3S
Molecular Weight373.56 g/mol
Exact Mass373.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
SMILESCC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C
InChIInChI=1S/C18H35N3O3S/c1-13(2)17-10-15(11-18(22)19-7-8-21(4)5)14(3)9-16(17)12-20-25(6,23)24/h9,13,15-17,20H,7-8,10-12H2,1-6H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyQYAZTBJIZAOHEN-ULQDDVLXSA-N
XLogP1.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.56
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,4S,5S)-4-(acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 38027444
N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38026924
N-cyclopentyl-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38027250
2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(2-methoxyethyl)acetamide
CID 38027622
2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-prop-2-ynylacetamide
CID 38028588
2-(cyclohexen-1-yl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]acetamide
CID 91923210
2-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-yl]-N-{2-[methyl(methylsulfonyl)amino]ethyl}acetamide
CID 56754341
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methanesulfonamidomethyl)cyclohexane-1-carboxamide
CID 45503945
2-[[(Z)-10-decyl-9-nonyl-11,12-bis[6-oxo-6-(2-sulfonatoethylamino)hexyl]tricos-12-enoyl]amino]ethanesulfonate
CID 57968522
3-[[(Z)-8-[6-oxo-6-(2-sulfonatoethylamino)hexyl]-7-[10-[8-oxo-8-(2-sulfonatoethylamino)octyl]henicosan-11-yl]nonadec-8-enoyl]amino]propane-1-sulfonate
CID 60012713
3-[[8-[6-Oxo-6-(2-sulfonatoethylamino)hexyl]-7-[10-[8-oxo-8-(2-sulfonatoethylamino)octyl]henicosan-11-yl]nonadec-8-enoyl]amino]propane-1-sulfonate
CID 72621813
2-(4-ethylcyclohex-3-en-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 178632587

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide (CID 38027383) is N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
The InChIKey is QYAZTBJIZAOHEN-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H35N3O3S/c1-13(2)17-10-15(11-18(22)19-7-8-21(4)5)14(3)9-16(17)12-20-25(6,23)24/h9,13,15-17,20H,7-8,10-12H2,1-6H3,(H,19,22)/t15-,16-,17-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide has a molecular weight of 373.56 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 38027383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).