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

C21H32N2OS — CID 2481505

IUPAC2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H32N2OS/c1-18-10-4-5-11-19(18)25-16-20(24)22-17-21(12-6-2-7-13-21)23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-17H2,1H3,(H,22,24)
InChIKeyVSGYLUYQVLALIV-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.39
Rot. Bonds6

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

2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2481505) has the molecular formula C21H32N2OS and a molecular weight of 360.57 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2481505
Molecular FormulaC21H32N2OS
Molecular Weight360.57 g/mol
Exact Mass360.22
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C21H32N2OS/c1-18-10-4-5-11-19(18)25-16-20(24)22-17-21(12-6-2-7-13-21)23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-17H2,1H3,(H,22,24)
InChIKeyVSGYLUYQVLALIV-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2481505) is 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is Cc1ccccc1SCC(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is VSGYLUYQVLALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2OS/c1-18-10-4-5-11-19(18)25-16-20(24)22-17-21(12-6-2-7-13-21)23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-17H2,1H3,(H,22,24).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 360.57 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2481505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).