N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide

C16H24N2OS — CID 64649552

IUPACN-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CC(C)(C)CCC2N)cc1
InChIInChI=1S/C16H24N2OS/c1-11(19)18-12-4-6-13(7-5-12)20-15-10-16(2,3)9-8-14(15)17/h4-7,14-15H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIEFUXUZWJBRPMF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide

N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide (PubChem CID 64649552) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
PubChem CID64649552
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC2CC(C)(C)CCC2N)cc1
InChIInChI=1S/C16H24N2OS/c1-11(19)18-12-4-6-13(7-5-12)20-15-10-16(2,3)9-8-14(15)17/h4-7,14-15H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyIEFUXUZWJBRPMF-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminocyclohexyl)sulfanylphenyl]acetamide
CID 64648961
N-[4-(2-hydroxycyclopentyl)sulfanylphenyl]acetamide
CID 60713577
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]phenyl]acetamide
CID 64648963
2-(4-acetamidophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880570
N-[4-[5-ethyl-2-(methylamino)cyclohexyl]sulfanylphenyl]acetamide
CID 64648574
N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
CID 64905120
2-[(5-bromo-2-pyridinyl)sulfanyl]-4,4-dimethylcyclohexan-1-amine
CID 64628826
N-[4-[4-(ethylamino)oxan-3-yl]sulfanylphenyl]acetamide
CID 64648380
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
1-(4-aminophenyl)-3-(3,3-dimethylcyclopentyl)urea
CID 114547631
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
CID 143596211
N-[4-[(4R)-4-methyloxolan-2-yl]sulfanylphenyl]acetamide
CID 155795563

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide (CID 64649552) is N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC2CC(C)(C)CCC2N)cc1.
What is the InChIKey of N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide?
The InChIKey is IEFUXUZWJBRPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(19)18-12-4-6-13(7-5-12)20-15-10-16(2,3)9-8-14(15)17/h4-7,14-15H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide?
N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-5,5-dimethylcyclohexyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 64649552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).