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

C21H33N2OS+ — CID 2481504

IUPAC2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCC1([NH+]2CCCCC2)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)/p+1
InChIKeyVSGYLUYQVLALIV-UHFFFAOYSA-O
MW361.58 g/mol
LogP2.98
Rot. Bonds6

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

2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2481504) has the molecular formula C21H33N2OS+ and a molecular weight of 361.58 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
PubChem CID2481504
Molecular FormulaC21H33N2OS+
Molecular Weight361.58 g/mol
Exact Mass361.23
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
SMILESCc1ccccc1SCC(=O)NCC1([NH+]2CCCCC2)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)/p+1
InChIKeyVSGYLUYQVLALIV-UHFFFAOYSA-O
XLogP2.98
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544916
1-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311981
2-(4-phenylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2077620
4-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543228
2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9142848
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]acetamide
CID 125175442
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]butanamide
CID 9112477
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide
CID 8926567
2-(2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618800

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide (CID 2481504) is 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is Cc1ccccc1SCC(=O)NCC1([NH+]2CCCCC2)CCCCC1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is VSGYLUYQVLALIV-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 361.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2481504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).