N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide

C17H26N2O2S — CID 102100745

IUPACN-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
SMILESC=C(C)[C@@H]1CC[C@](C)(N)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-12(2)14-9-10-17(4,18)16(11-14)19-22(20,21)15-7-5-13(3)6-8-15/h5-8,14,16,19H,1,9-11,18H2,2-4H3/t14-,16+,17+/m1/s1
InChIKeyQQMIWMPPWUKWSQ-PVAVHDDUSA-N
MW322.47 g/mol
LogP2.74
Rot. Bonds4

About N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide

N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 102100745) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID102100745
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
SMILESC=C(C)[C@@H]1CC[C@](C)(N)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O2S/c1-12(2)14-9-10-17(4,18)16(11-14)19-22(20,21)15-7-5-13(3)6-8-15/h5-8,14,16,19H,1,9-11,18H2,2-4H3/t14-,16+,17+/m1/s1
InChIKeyQQMIWMPPWUKWSQ-PVAVHDDUSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
1-methyl-4-[[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]methylsulfonyl]benzene
CID 11266702
N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 134950538
3-methyl-4-[(4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66248133
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
trans-(1R,3R)-3-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 6943892
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
CID 134984235
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 2817636

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide (CID 102100745) is N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide is C=C(C)[C@@H]1CC[C@](C)(N)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is QQMIWMPPWUKWSQ-PVAVHDDUSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-12(2)14-9-10-17(4,18)16(11-14)19-22(20,21)15-7-5-13(3)6-8-15/h5-8,14,16,19H,1,9-11,18H2,2-4H3/t14-,16+,17+/m1/s1.
What are the key properties of N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide?
N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102100745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).