[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine

C12H25NO2S — CID 64697595

IUPAC[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
SMILESCC(C)CS(=O)(=O)C1CCCCCC1CN
InChIInChI=1S/C12H25NO2S/c1-10(2)9-16(14,15)12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyBCRMQTNIOYLHHA-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.96
Rot. Bonds4

About [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine

[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine (PubChem CID 64697595) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
PubChem CID64697595
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine
SMILESCC(C)CS(=O)(=O)C1CCCCCC1CN
InChIInChI=1S/C12H25NO2S/c1-10(2)9-16(14,15)12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyBCRMQTNIOYLHHA-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

Analyze [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylbutylsulfonyl)cyclopentyl]methanamine
CID 107767198
(2-propylsulfonylcyclohexyl)methanamine
CID 64698833
(2-pentylsulfonylcyclohexyl)methanamine
CID 107766733
N-methyl-2-(2-methylpropylsulfonyl)cyclododecan-1-amine
CID 64646822
2-(2-methylpropylsulfonyl)cyclohexane-1-carbonitrile
CID 64690164
ethyl 2-[2-(aminomethyl)cyclohexyl]sulfonylacetate
CID 64696599
2-(2-methylbutylsulfonyl)cyclooctan-1-amine
CID 107759605
methyl 3-(2-ethylcyclohexyl)sulfonyl-2-methylpropanoate
CID 66114691
2-methylpropylsulfonylcyclopropane
CID 58333627
[2-(benzenesulfonyl)cycloheptyl]methanamine
CID 64698780
1-[2-(aminomethyl)cycloheptyl]propan-2-amine
CID 156725506
cis-(1R,2S)-2-(2-methylpropyl)cyclohexane-1-sulfonate;cis-(1S,2R)-2-(2-methylpropyl)cyclohexane-1-sulfonate
CID 161163930

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine (CID 64697595) is [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine is CC(C)CS(=O)(=O)C1CCCCCC1CN.
What is the InChIKey of [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine?
The InChIKey is BCRMQTNIOYLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(2)9-16(14,15)12-7-5-3-4-6-11(12)8-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine?
[2-(2-methylpropylsulfonyl)cycloheptyl]methanamine 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 [2-(2-methylpropylsulfonyl)cycloheptyl]methanamine is sourced from PubChem (CID 64697595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).