(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C14H23N5O2S — CID 95352824

IUPAC(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@H](C(=O)NCCc1n[nH]c(=S)n1C)N1CCCC1=O
InChIInChI=1S/C14H23N5O2S/c1-9(2)12(19-8-4-5-11(19)20)13(21)15-7-6-10-16-17-14(22)18(10)3/h9,12H,4-8H2,1-3H3,(H,15,21)(H,17,22)/t12-/m1/s1
InChIKeyVTQIDXOAHAYPMS-GFCCVEGCSA-N
MW325.44 g/mol
LogP0.78
Rot. Bonds6

About (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 95352824) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID95352824
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@H](C(=O)NCCc1n[nH]c(=S)n1C)N1CCCC1=O
InChIInChI=1S/C14H23N5O2S/c1-9(2)12(19-8-4-5-11(19)20)13(21)15-7-6-10-16-17-14(22)18(10)3/h9,12H,4-8H2,1-3H3,(H,15,21)(H,17,22)/t12-/m1/s1
InChIKeyVTQIDXOAHAYPMS-GFCCVEGCSA-N
XLogP0.78
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide 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

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
1-(2-methylpropyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 99577260
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 98354419
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 95352824) is (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)[C@H](C(=O)NCCc1n[nH]c(=S)n1C)N1CCCC1=O.
What is the InChIKey of (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is VTQIDXOAHAYPMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-9(2)12(19-8-4-5-11(19)20)13(21)15-7-6-10-16-17-14(22)18(10)3/h9,12H,4-8H2,1-3H3,(H,15,21)(H,17,22)/t12-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 325.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 95352824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).