2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine

C14H27NO2S — CID 64674214

IUPAC2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-15-13-10-6-3-7-11-14(13)18(16,17)12-8-4-2-5-9-12/h12-15H,2-11H2,1H3
InChIKeyLXMDDGYVIHSRFW-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.65
Rot. Bonds3

About 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine

2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine (PubChem CID 64674214) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
PubChem CID64674214
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-15-13-10-6-3-7-11-14(13)18(16,17)12-8-4-2-5-9-12/h12-15H,2-11H2,1H3
InChIKeyLXMDDGYVIHSRFW-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine?
The IUPAC name of 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine (CID 64674214) is 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine is CNC1CCCCCC1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine?
The InChIKey is LXMDDGYVIHSRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-15-13-10-6-3-7-11-14(13)18(16,17)12-8-4-2-5-9-12/h12-15H,2-11H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine?
2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 64674214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).