(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C12H17N3O2S — CID 9143846

IUPAC(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nccc(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8(11(17)14-9-4-2-3-5-9)18-12-13-7-6-10(16)15-12/h6-9H,2-5H2,1H3,(H,14,17)(H,13,15,16)/t8-/m0/s1
InChIKeyXUSFXFSWFQEBAH-QMMMGPOBSA-N
MW267.35 g/mol
LogP1.31
Rot. Bonds4

About (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 9143846) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID9143846
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nccc(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8(11(17)14-9-4-2-3-5-9)18-12-13-7-6-10(16)15-12/h6-9H,2-5H2,1H3,(H,14,17)(H,13,15,16)/t8-/m0/s1
InChIKeyXUSFXFSWFQEBAH-QMMMGPOBSA-N
XLogP1.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide 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

N-Cyclopentyl-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-acetamide
CID 860085
1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
N-cyclopentyl-2-[(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135427414
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2360188
N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2362539
N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
N-cyclooctyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3635556
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-cyclohexylacetamide
CID 135403543
N-cyclohexyl-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide
CID 860086
N-cyclohexyl-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
CID 135516102

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 9143846) is (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is C[C@H](Sc1nccc(=O)[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is XUSFXFSWFQEBAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(11(17)14-9-4-2-3-5-9)18-12-13-7-6-10(16)15-12/h6-9H,2-5H2,1H3,(H,14,17)(H,13,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
(2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 267.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 9143846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).