2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide

C15H22N2OS — CID 43722550

IUPAC2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC1CCCC(Nc2ccccc2SCC(N)=O)C1
InChIInChI=1S/C15H22N2OS/c1-11-5-4-6-12(9-11)17-13-7-2-3-8-14(13)19-10-15(16)18/h2-3,7-8,11-12,17H,4-6,9-10H2,1H3,(H2,16,18)
InChIKeyGKLBMEREQWWCMJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.25
Rot. Bonds5

About 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide

2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide (PubChem CID 43722550) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
PubChem CID43722550
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC1CCCC(Nc2ccccc2SCC(N)=O)C1
InChIInChI=1S/C15H22N2OS/c1-11-5-4-6-12(9-11)17-13-7-2-3-8-14(13)19-10-15(16)18/h2-3,7-8,11-12,17H,4-6,9-10H2,1H3,(H2,16,18)
InChIKeyGKLBMEREQWWCMJ-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722551
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
CID 63922815
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
2-(2-amino-2-oxoethyl)sulfanyl-N-cyclopentylbenzamide
CID 37345038
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide (CID 43722550) is 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide is CC1CCCC(Nc2ccccc2SCC(N)=O)C1.
What is the InChIKey of 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide?
The InChIKey is GKLBMEREQWWCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-5-4-6-12(9-11)17-13-7-2-3-8-14(13)19-10-15(16)18/h2-3,7-8,11-12,17H,4-6,9-10H2,1H3,(H2,16,18).
What are the key properties of 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide?
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide has a molecular weight of 278.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43722550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).