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

C11H15N3O2S — CID 860085

IUPACN-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC1CCCC1
InChIInChI=1S/C11H15N3O2S/c15-9-5-6-12-11(14-9)17-7-10(16)13-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,16)(H,12,14,15)
InChIKeyNEYAQGOSIMMUAY-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.92
Rot. Bonds4

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

N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 860085) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID860085
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC1CCCC1
InChIInChI=1S/C11H15N3O2S/c15-9-5-6-12-11(14-9)17-7-10(16)13-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,16)(H,12,14,15)
InChIKeyNEYAQGOSIMMUAY-UHFFFAOYSA-N
XLogP0.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
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-cyclopentyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135561678
N-cyclopentyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3597684
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 4171867
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 135435924

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 860085) is N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is NEYAQGOSIMMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c15-9-5-6-12-11(14-9)17-7-10(16)13-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,13,16)(H,12,14,15).
What are the key properties of N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 860085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).