N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide

C11H15ClN4OS — CID 114052324

IUPACN-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1nccc(Cl)n1
InChIInChI=1S/C11H15ClN4OS/c12-9-3-6-14-11(15-9)16-10(17)7-18-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15,16,17)
InChIKeyPRPNLPMTPKSLFC-UHFFFAOYSA-N
MW286.79 g/mol
LogP1.55
Rot. Bonds4

About N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114052324) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114052324
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC NameN-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1nccc(Cl)n1
InChIInChI=1S/C11H15ClN4OS/c12-9-3-6-14-11(15-9)16-10(17)7-18-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15,16,17)
InChIKeyPRPNLPMTPKSLFC-UHFFFAOYSA-N
XLogP1.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide 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-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925
2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
CID 114626669
2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
CID 114628128
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
N-(3-chloro-2-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626532
N-(2-chloro-6-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628124
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136
N-(4-ethylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 82181207
N-[2-(hydroxymethyl)phenyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626808
N-(2-chloro-4,6-difluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627970

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114052324) is N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1nccc(Cl)n1.
What is the InChIKey of N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is PRPNLPMTPKSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4OS/c12-9-3-6-14-11(15-9)16-10(17)7-18-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15,16,17).
What are the key properties of N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 286.79 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114052324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).