N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide

C11H15N3OS — CID 4618357

IUPACN-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCC1
InChIInChI=1S/C11H15N3OS/c15-10(14-9-4-1-2-5-9)8-16-11-12-6-3-7-13-11/h3,6-7,9H,1-2,4-5,8H2,(H,14,15)
InChIKeyDYDTZLNHVWGDRQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.63
Rot. Bonds4

About N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide

N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 4618357) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID4618357
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCC1
InChIInChI=1S/C11H15N3OS/c15-10(14-9-4-1-2-5-9)8-16-11-12-6-3-7-13-11/h3,6-7,9H,1-2,4-5,8H2,(H,14,15)
InChIKeyDYDTZLNHVWGDRQ-UHFFFAOYSA-N
XLogP1.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide (CID 4618357) is N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is DYDTZLNHVWGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-10(14-9-4-1-2-5-9)8-16-11-12-6-3-7-13-11/h3,6-7,9H,1-2,4-5,8H2,(H,14,15).
What are the key properties of N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide?
N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 237.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 4618357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).