3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide

C16H24N2OS — CID 82989697

IUPAC3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide
SMILESCC1CCCC(Sc2ccc(C(=O)N(C)C)cc2N)C1
InChIInChI=1S/C16H24N2OS/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h7-8,10-11,13H,4-6,9,17H2,1-3H3
InChIKeyLJJWVFYAULOJJO-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.64
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide

3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide (PubChem CID 82989697) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide
PubChem CID82989697
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide
SMILESCC1CCCC(Sc2ccc(C(=O)N(C)C)cc2N)C1
InChIInChI=1S/C16H24N2OS/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h7-8,10-11,13H,4-6,9,17H2,1-3H3
InChIKeyLJJWVFYAULOJJO-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
CID 63358660
3-amino-4-cyclohexylsulfanylbenzamide
CID 54945547
3-chloro-4-(3-methylcyclohexyl)sulfanylaniline
CID 63537225
1-[2-amino-4-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 104529457
1-[4-bromo-2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 82972468
3-amino-4-[(3-methylcyclohexyl)sulfanylmethyl]benzamide
CID 62720802
3-(difluoromethyl)-4-(3-methylcyclohexyl)sulfanylaniline
CID 63736565
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanone
CID 62721722
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
3-amino-4-(2,3-dihydroxypropylsulfanyl)-N,N-dimethylbenzamide
CID 82990247

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide (CID 82989697) is 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide is CC1CCCC(Sc2ccc(C(=O)N(C)C)cc2N)C1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide?
The InChIKey is LJJWVFYAULOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-5-4-6-13(9-11)20-15-8-7-12(10-14(15)17)16(19)18(2)3/h7-8,10-11,13H,4-6,9,17H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide?
3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide has a molecular weight of 292.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(3-methylcyclohexyl)sulfanylbenzamide is sourced from PubChem (CID 82989697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).