N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide

C16H30N2O2S — CID 114627683

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCC1CCC(O)(CNC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-2-13-3-7-16(20,8-4-13)12-18-15(19)11-21-14-5-9-17-10-6-14/h13-14,17,20H,2-12H2,1H3,(H,18,19)
InChIKeyJCRVIQBMBDMNQY-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.92
Rot. Bonds6

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627683) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627683
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCCC1CCC(O)(CNC(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-2-13-3-7-16(20,8-4-13)12-18-15(19)11-21-14-5-9-17-10-6-14/h13-14,17,20H,2-12H2,1H3,(H,18,19)
InChIKeyJCRVIQBMBDMNQY-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866557
2-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65113756
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113863
N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 65114184
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 65119046
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 65119195
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 65119205
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylsulfanylpropanamide
CID 65119374
N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiolane-3-carboxamide
CID 65119396
2-butylsulfanyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119410
N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiolane-2-carboxamide
CID 65119442
2-tert-butylsulfanyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119458

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627683) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide is CCC1CCC(O)(CNC(=O)CSC2CCNCC2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is JCRVIQBMBDMNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-2-13-3-7-16(20,8-4-13)12-18-15(19)11-21-14-5-9-17-10-6-14/h13-14,17,20H,2-12H2,1H3,(H,18,19).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 314.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).