2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine

C15H29NO2S — CID 64675198

IUPAC2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h13-16H,2-12H2,1H3
InChIKeyBLRQWHLDXXINMF-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.04
Rot. Bonds3

About 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine

2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine (PubChem CID 64675198) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
PubChem CID64675198
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine
SMILESCNC1CCCCCCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H29NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h13-16H,2-12H2,1H3
InChIKeyBLRQWHLDXXINMF-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
CID 64674214
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
N-methyl-2-(2-methylpropylsulfonyl)cyclododecan-1-amine
CID 64646822
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
CID 64675912
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
CID 64644745
2-cyclopentylsulfonylcycloheptan-1-amine
CID 64673719

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine?
The IUPAC name of 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine (CID 64675198) is 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine is CNC1CCCCCCC1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine?
The InChIKey is BLRQWHLDXXINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-16-14-11-7-2-3-8-12-15(14)19(17,18)13-9-5-4-6-10-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine?
2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-N-methylcyclooctan-1-amine is sourced from PubChem (CID 64675198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).