(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C15H20N2O3S2 — CID 95152524

IUPAC(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-11-2-6-13(7-3-11)22(19,20)17-10-21-9-14(17)15(18)16-8-12-4-5-12/h2-3,6-7,12,14H,4-5,8-10H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyBEWKVTKOTDLDTD-CQSZACIVSA-N
MW340.47 g/mol
LogP1.58
Rot. Bonds5

About (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95152524) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID95152524
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-11-2-6-13(7-3-11)22(19,20)17-10-21-9-14(17)15(18)16-8-12-4-5-12/h2-3,6-7,12,14H,4-5,8-10H2,1H3,(H,16,18)/t14-/m1/s1
InChIKeyBEWKVTKOTDLDTD-CQSZACIVSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-(cyclopropylmethyl)-3-(3,5-difluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
CID 97010448
(4R)-N-(cyclopropylmethyl)-3-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 95154537
(4S)-3-(4-propan-2-ylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 34255398
(4S)-N-(cyclopropylmethyl)-3-(3-methyl-4-nitrobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95271806
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
methyl 4-(4-methylphenyl)sulfonylthiomorpholine-3-carboxylate
CID 54857195
N-cyclopropyl-3-(4-ethylphenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60609469
3-(4-tert-butylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43172981
methyl (2S)-3-methyl-2-[[(3R)-4-(4-methylphenyl)sulfonylthiomorpholine-3-carbonyl]amino]pentanoate
CID 135196630
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide
CID 75554377
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
(2S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60592755

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 95152524) is (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1.
What is the InChIKey of (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is BEWKVTKOTDLDTD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-11-2-6-13(7-3-11)22(19,20)17-10-21-9-14(17)15(18)16-8-12-4-5-12/h2-3,6-7,12,14H,4-5,8-10H2,1H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
(4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(cyclopropylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).