2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide

C16H24N2OS — CID 43722551

IUPAC2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC1CCCC(C)C1Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H24N2OS/c1-11-6-5-7-12(2)16(11)18-13-8-3-4-9-14(13)20-10-15(17)19/h3-4,8-9,11-12,16,18H,5-7,10H2,1-2H3,(H2,17,19)
InChIKeyUTBKMWKPIHODDH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide

2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide (PubChem CID 43722551) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
PubChem CID43722551
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide
SMILESCC1CCCC(C)C1Nc1ccccc1SCC(N)=O
InChIInChI=1S/C16H24N2OS/c1-11-6-5-7-12(2)16(11)18-13-8-3-4-9-14(13)20-10-15(17)19/h3-4,8-9,11-12,16,18H,5-7,10H2,1-2H3,(H2,17,19)
InChIKeyUTBKMWKPIHODDH-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
2-[2-[[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]amino]phenyl]sulfanylacetamide
CID 9044707
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-[(1,1-dioxothian-3-yl)amino]phenyl]sulfanylacetamide
CID 63922815
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
CID 43729752
2-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974553
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-cyclohexyl-N-methylpropanamide
CID 9044749
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N-(2,6-dimethylcyclohexyl)-2-methylaniline
CID 43107290

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide (CID 43722551) is 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide is CC1CCCC(C)C1Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide?
The InChIKey is UTBKMWKPIHODDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-6-5-7-12(2)16(11)18-13-8-3-4-9-14(13)20-10-15(17)19/h3-4,8-9,11-12,16,18H,5-7,10H2,1-2H3,(H2,17,19).
What are the key properties of 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide?
2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dimethylcyclohexyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43722551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).