2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C20H30N2OS — CID 24979288

IUPAC2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccccc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2OS/c23-19(16-24-18-10-4-1-5-11-18)21-17-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,21,23)
InChIKeyPVVYFURGCRNDAN-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.08
Rot. Bonds6

About 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 24979288) has the molecular formula C20H30N2OS and a molecular weight of 346.54 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID24979288
Molecular FormulaC20H30N2OS
Molecular Weight346.54 g/mol
Exact Mass346.21
IUPAC Name2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccccc1)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H30N2OS/c23-19(16-24-18-10-4-1-5-11-18)21-17-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,21,23)
InChIKeyPVVYFURGCRNDAN-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 24979288) is 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is O=C(CSc1ccccc1)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is PVVYFURGCRNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS/c23-19(16-24-18-10-4-1-5-11-18)21-17-20(12-6-2-7-13-20)22-14-8-3-9-15-22/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,21,23).
What are the key properties of 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 346.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 24979288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).