1-methylsulfonylcycloheptan-1-amine

C8H17NO2S — CID 62473091

IUPAC1-methylsulfonylcycloheptan-1-amine
SMILESCS(=O)(=O)C1(N)CCCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8(9)6-4-2-3-5-7-8/h2-7,9H2,1H3
InChIKeyGLKLRPSOTLQXNO-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.04
Rot. Bonds1

About 1-methylsulfonylcycloheptan-1-amine

1-methylsulfonylcycloheptan-1-amine (PubChem CID 62473091) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-methylsulfonylcycloheptan-1-amine.

Molecular Properties

Compound Name1-methylsulfonylcycloheptan-1-amine
PubChem CID62473091
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-methylsulfonylcycloheptan-1-amine
SMILESCS(=O)(=O)C1(N)CCCCCC1
InChIInChI=1S/C8H17NO2S/c1-12(10,11)8(9)6-4-2-3-5-7-8/h2-7,9H2,1H3
InChIKeyGLKLRPSOTLQXNO-UHFFFAOYSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylcycloheptan-1-amine?
The IUPAC name of 1-methylsulfonylcycloheptan-1-amine (CID 62473091) is 1-methylsulfonylcycloheptan-1-amine.
What is the SMILES notation for 1-methylsulfonylcycloheptan-1-amine?
The canonical SMILES for 1-methylsulfonylcycloheptan-1-amine is CS(=O)(=O)C1(N)CCCCCC1.
What is the InChIKey of 1-methylsulfonylcycloheptan-1-amine?
The InChIKey is GLKLRPSOTLQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-12(10,11)8(9)6-4-2-3-5-7-8/h2-7,9H2,1H3.
What are the key properties of 1-methylsulfonylcycloheptan-1-amine?
1-methylsulfonylcycloheptan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylcycloheptan-1-amine is sourced from PubChem (CID 62473091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).