3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine

C12H25NO2S — CID 64733955

IUPAC3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCC(N)(CCCS(C)(=O)=O)CC1C
InChIInChI=1S/C12H25NO2S/c1-10-5-7-12(13,9-11(10)2)6-4-8-16(3,14)15/h10-11H,4-9,13H2,1-3H3
InChIKeyQPVADKCKRHRQCB-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.96
Rot. Bonds4

About 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine

3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 64733955) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
PubChem CID64733955
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine
SMILESCC1CCC(N)(CCCS(C)(=O)=O)CC1C
InChIInChI=1S/C12H25NO2S/c1-10-5-7-12(13,9-11(10)2)6-4-8-16(3,14)15/h10-11H,4-9,13H2,1-3H3
InChIKeyQPVADKCKRHRQCB-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexyl-3,4-dimethylcyclohexan-1-amine
CID 64733757
1-(3-methylsulfonylpropyl)cyclohexan-1-amine
CID 63192064
4-ethyl-1-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65082935
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918
3-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62594696
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087
3-methyl-1-(3-methylsulfonylpropyl)cyclopentane-1-carboxylic acid
CID 65401103
1-(2-methylsulfonylethyl)-4-propylcyclohexan-1-amine
CID 62596905
1,5-dimethyl-3-(3-methylsulfonylpropyl)pyrrolidin-3-ol
CID 81468436
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
4,4-dimethyl-1-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 65083929
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine (CID 64733955) is 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine is CC1CCC(N)(CCCS(C)(=O)=O)CC1C.
What is the InChIKey of 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is QPVADKCKRHRQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10-5-7-12(13,9-11(10)2)6-4-8-16(3,14)15/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine?
3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-methylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64733955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).