N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide

C15H21NO2S — CID 106137813

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCC1CCC(O)CC1
InChIInChI=1S/C15H21NO2S/c17-13-5-1-12(2-6-13)10-16-15(18)9-11-3-7-14(19)8-4-11/h3-4,7-8,12-13,17,19H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyXQFDOHVJDDTIEX-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.19
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide

N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 106137813) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID106137813
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCC1CCC(O)CC1
InChIInChI=1S/C15H21NO2S/c17-13-5-1-12(2-6-13)10-16-15(18)9-11-3-7-14(19)8-4-11/h3-4,7-8,12-13,17,19H,1-2,5-6,9-10H2,(H,16,18)
InChIKeyXQFDOHVJDDTIEX-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123755
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide (CID 106137813) is N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is XQFDOHVJDDTIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-13-5-1-12(2-6-13)10-16-15(18)9-11-3-7-14(19)8-4-11/h3-4,7-8,12-13,17,19H,1-2,5-6,9-10H2,(H,16,18).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide?
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 106137813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).