N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide

C18H31N3O3S — CID 43956592

IUPACN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C18H31N3O3S/c1-15(2)14-25(22,23)19-13-18(21-9-11-24-12-10-21)16-5-7-17(8-6-16)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3
InChIKeyRBSIUPFTVVFBHF-UHFFFAOYSA-N
MW369.53 g/mol
LogP1.70
Rot. Bonds8

About N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide (PubChem CID 43956592) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide
PubChem CID43956592
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C18H31N3O3S/c1-15(2)14-25(22,23)19-13-18(21-9-11-24-12-10-21)16-5-7-17(8-6-16)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3
InChIKeyRBSIUPFTVVFBHF-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]ethanesulfonamide
CID 7498187
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 7498227
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 16933162
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,4,5-trimethylbenzenesulfonamide
CID 7498215
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3,4-dimethylbenzenesulfonamide
CID 43956567
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
CID 7496780
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]propane-2-sulfonamide
CID 7498433
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 7497982
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propane-1-sulfonamide
CID 112503641
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-nitrobenzenesulfonamide
CID 18564971

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide (CID 43956592) is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(c1ccc(N(C)C)cc1)N1CCOCC1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide?
The InChIKey is RBSIUPFTVVFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-15(2)14-25(22,23)19-13-18(21-9-11-24-12-10-21)16-5-7-17(8-6-16)20(3)4/h5-8,15,18-19H,9-14H2,1-4H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide?
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide has a molecular weight of 369.53 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 43956592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).