2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide

C13H17ClN2OS — CID 119427074

IUPAC2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCNC1
InChIInChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h3-6,11,15H,1-2,7-9H2,(H,16,17)
InChIKeyYEDJFTTUXWUDNL-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.30
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide

2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide (PubChem CID 119427074) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
PubChem CID119427074
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCCNC1
InChIInChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h3-6,11,15H,1-2,7-9H2,(H,16,17)
InChIKeyYEDJFTTUXWUDNL-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119425746
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-cyclohexylthiourea
CID 3344808
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide (CID 119427074) is 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide is O=C(CSc1ccc(Cl)cc1)NC1CCCNC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide?
The InChIKey is YEDJFTTUXWUDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c14-10-3-5-12(6-4-10)18-9-13(17)16-11-2-1-7-15-8-11/h3-6,11,15H,1-2,7-9H2,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide?
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide has a molecular weight of 284.81 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide is sourced from PubChem (CID 119427074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).