(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide

C15H22N2O5S — CID 15891352

IUPAC(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2[C@@H](CO)C[C@@H](CO)[C@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O5S/c1-9-2-4-12(5-3-9)23(21,22)17-14-11(8-19)6-10(7-18)13(14)15(16)20/h2-5,10-11,13-14,17-19H,6-8H2,1H3,(H2,16,20)/t10-,11+,13+,14+/m0/s1
InChIKeyBNVVQMQAPSPBNN-OIMNJJJWSA-N
MW342.42 g/mol
LogP-0.64
Rot. Bonds6

About (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide

(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide (PubChem CID 15891352) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
PubChem CID15891352
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2[C@@H](CO)C[C@@H](CO)[C@H]2C(N)=O)cc1
InChIInChI=1S/C15H22N2O5S/c1-9-2-4-12(5-3-9)23(21,22)17-14-11(8-19)6-10(7-18)13(14)15(16)20/h2-5,10-11,13-14,17-19H,6-8H2,1H3,(H2,16,20)/t10-,11+,13+,14+/m0/s1
InChIKeyBNVVQMQAPSPBNN-OIMNJJJWSA-N
XLogP-0.64
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[[(1S,2S,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentyl]methyl]carbamate
CID 10938875
(1R,2R,3S,5R)-6,6-dimethyl-2-[(4-methylphenyl)sulfonylamino]bicyclo[3.1.1]heptane-3-carboxamide
CID 102497273
tert-butyl (3aS,4S,5S,6aR)-5-(hydroxymethyl)-4-[(4-methylphenyl)sulfonylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 10862493
(1S,2R,3R,4R)-3-[(4-methylphenyl)sulfonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11066768
4-tert-butyl-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 99778846
3-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 95654521
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
CID 139341925
(3S,5S)-5-[(4-methylphenyl)sulfonylamino]piperidine-1,3-dicarboxylic acid
CID 90906612

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide (CID 15891352) is (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide is Cc1ccc(S(=O)(=O)N[C@@H]2[C@@H](CO)C[C@@H](CO)[C@H]2C(N)=O)cc1.
What is the InChIKey of (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
The InChIKey is BNVVQMQAPSPBNN-OIMNJJJWSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-9-2-4-12(5-3-9)23(21,22)17-14-11(8-19)6-10(7-18)13(14)15(16)20/h2-5,10-11,13-14,17-19H,6-8H2,1H3,(H2,16,20)/t10-,11+,13+,14+/m0/s1.
What are the key properties of (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide?
(1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-3,5-bis(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 15891352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).