N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C12H16N4O2S — CID 2628835

IUPACN-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NC1CCCC1
InChIInChI=1S/C12H16N4O2S/c17-10(8-19-12-13-6-3-7-14-12)16-11(18)15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16,17,18)
InChIKeyDTRCOUGATYADCN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.34
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2628835) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2628835
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NC1CCCC1
InChIInChI=1S/C12H16N4O2S/c17-10(8-19-12-13-6-3-7-14-12)16-11(18)15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16,17,18)
InChIKeyDTRCOUGATYADCN-UHFFFAOYSA-N
XLogP1.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2628835) is N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is DTRCOUGATYADCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c17-10(8-19-12-13-6-3-7-14-12)16-11(18)15-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,15,16,17,18).
What are the key properties of N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 280.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2628835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).