N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide

C15H24N2O2S — CID 102363883

IUPACN-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC[C@@](C)(N)C2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-11-5-7-12(8-6-11)20(18,19)17-13-9-10-15(4,16)14(13,2)3/h5-8,13,17H,9-10,16H2,1-4H3/t13-,15+/m0/s1
InChIKeyGSMQJJVLEKEJKE-DZGCQCFKSA-N
MW296.44 g/mol
LogP2.18
Rot. Bonds3

About N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide

N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 102363883) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
PubChem CID102363883
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CC[C@@](C)(N)C2(C)C)cc1
InChIInChI=1S/C15H24N2O2S/c1-11-5-7-12(8-6-11)20(18,19)17-13-9-10-15(4,16)14(13,2)3/h5-8,13,17H,9-10,16H2,1-4H3/t13-,15+/m0/s1
InChIKeyGSMQJJVLEKEJKE-DZGCQCFKSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 102100745
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 50936368
4-methyl-N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
CID 2817636
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
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
N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
CID 15529713
N-[(3R)-3-ethyl-4,4-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 134950538
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
CID 134984235
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide (CID 102363883) is N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@](C)(N)C2(C)C)cc1.
What is the InChIKey of N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is GSMQJJVLEKEJKE-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-5-7-12(8-6-11)20(18,19)17-13-9-10-15(4,16)14(13,2)3/h5-8,13,17H,9-10,16H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide?
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102363883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).