N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide

C14H20N2OS — CID 64648961

IUPACN-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCCCC2N)cc1
InChIInChI=1S/C14H20N2OS/c1-10(17)16-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15/h6-9,13-14H,2-5,15H2,1H3,(H,16,17)
InChIKeyITWJVPQGBYHMNR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.01
Rot. Bonds3

About N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide

N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide (PubChem CID 64648961) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
PubChem CID64648961
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CCCCC2N)cc1
InChIInChI=1S/C14H20N2OS/c1-10(17)16-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15/h6-9,13-14H,2-5,15H2,1H3,(H,16,17)
InChIKeyITWJVPQGBYHMNR-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
CID 64649552
4-(2-aminocyclohexyl)sulfanylaniline
CID 106440974
2-(4-bromophenyl)sulfanylcyclohexan-1-amine
CID 64615583
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-(4-propan-2-ylphenyl)sulfanylcycloheptan-1-amine
CID 64619325
3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
CID 64905120

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide (CID 64648961) is N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC2CCCCC2N)cc1.
What is the InChIKey of N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide?
The InChIKey is ITWJVPQGBYHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(17)16-11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15/h6-9,13-14H,2-5,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide?
N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide has a molecular weight of 264.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 64648961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).