N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide

C15H21N3O2S — CID 136684138

IUPACN-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O2S/c1-9(13(19)16-10-5-2-3-6-10)21-15-17-12-8-4-7-11(12)14(20)18-15/h9-10H,2-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyYWXVDZYJEFIASL-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.80
Rot. Bonds4

About N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide

N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 136684138) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID136684138
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCC(Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)NC1CCCC1
InChIInChI=1S/C15H21N3O2S/c1-9(13(19)16-10-5-2-3-6-10)21-15-17-12-8-4-7-11(12)14(20)18-15/h9-10H,2-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyYWXVDZYJEFIASL-UHFFFAOYSA-N
XLogP1.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide (CID 136684138) is N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide is CC(Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is YWXVDZYJEFIASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9(13(19)16-10-5-2-3-6-10)21-15-17-12-8-4-7-11(12)14(20)18-15/h9-10H,2-8H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide?
N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136684138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).