(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide

C12H24N2OS — CID 97030100

IUPAC(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCCSCC[C@H](C)NC(=O)N1CC[C@@H](C)C1
InChIInChI=1S/C12H24N2OS/c1-4-16-8-6-11(3)13-12(15)14-7-5-10(2)9-14/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyKTNAGOSFCMDXCH-MNOVXSKESA-N
MW244.40 g/mol
LogP2.57
Rot. Bonds5

About (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide

(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide (PubChem CID 97030100) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
PubChem CID97030100
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide
SMILESCCSCC[C@H](C)NC(=O)N1CC[C@@H](C)C1
InChIInChI=1S/C12H24N2OS/c1-4-16-8-6-11(3)13-12(15)14-7-5-10(2)9-14/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1
InChIKeyKTNAGOSFCMDXCH-MNOVXSKESA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 71989957
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(3-methylsulfanylpropyl)urea
CID 172436164
3,3-Dimethyl-1-[(thiolan-3-yl)methyl]urea
CID 107295546
N-(2-(methylsulfanyl)ethyl)pyrrolidine-1-carboxamide
CID 115604459
N-(2-tert-butylsulfonylethyl)-3-methylpyrrolidine-1-carboxamide
CID 71867721
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 91652527
(5R)-5-methyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 99832600
(5S)-5-methyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 99832601
(5R)-5-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 99832602
(5S)-5-methyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazepane-4-carboxamide
CID 99832603
3-fluoro-N-(4-methylthiolan-3-yl)azetidine-1-carboxamide
CID 132292899
1-(4-Pyrrolidin-1-ylbutyl)-3-(thian-3-yl)urea
CID 71862998

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide (CID 97030100) is (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide is CCSCC[C@H](C)NC(=O)N1CC[C@@H](C)C1.
What is the InChIKey of (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide?
The InChIKey is KTNAGOSFCMDXCH-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-16-8-6-11(3)13-12(15)14-7-5-10(2)9-14/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11+/m1/s1.
What are the key properties of (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide?
(3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97030100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).