(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide

C11H20N2O3S2 — CID 99599466

IUPAC(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H20N2O3S2/c1-3-8(2)12-11(14)10-6-17-7-13(10)18(15,16)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKeyPECWYMVJSHKZFZ-WPRPVWTQSA-N
MW292.43 g/mol
LogP0.77
Rot. Bonds5

About (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 99599466) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID99599466
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1
InChIInChI=1S/C11H20N2O3S2/c1-3-8(2)12-11(14)10-6-17-7-13(10)18(15,16)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKeyPECWYMVJSHKZFZ-WPRPVWTQSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
CID 95145718
N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
CID 60609338
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
N-butan-2-yl-3-[3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 76878794
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide (CID 99599466) is (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)C1CC1.
What is the InChIKey of (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is PECWYMVJSHKZFZ-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-3-8(2)12-11(14)10-6-17-7-13(10)18(15,16)9-4-5-9/h8-10H,3-7H2,1-2H3,(H,12,14)/t8-,10-/m0/s1.
What are the key properties of (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 99599466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).