2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine

C16H25NO3S — CID 64644759

IUPAC2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3S/c1-16(2)10-9-14(17-3)15(11-16)21(18,19)13-7-5-12(20-4)6-8-13/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyDVLHPLDFHSQGJG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.64
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine

2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 64644759) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
PubChem CID64644759
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3S/c1-16(2)10-9-14(17-3)15(11-16)21(18,19)13-7-5-12(20-4)6-8-13/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyDVLHPLDFHSQGJG-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645466
2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
2-(2-bromophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645249
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64639422
7-(benzenesulfonyl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62918057
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
N-methyl-2-naphthalen-2-ylsulfonylcyclopentan-1-amine
CID 64647317
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid
CID 67614163
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine (CID 64644759) is 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is DVLHPLDFHSQGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-16(2)10-9-14(17-3)15(11-16)21(18,19)13-7-5-12(20-4)6-8-13/h5-8,14-15,17H,9-11H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine?
2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64644759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).