2-(benzenesulfonyl)cycloheptan-1-amine

C13H19NO2S — CID 62916688

IUPAC2-(benzenesulfonyl)cycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c14-12-9-5-2-6-10-13(12)17(15,16)11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2
InChIKeyCYPZWKGDOHMZSH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.12
Rot. Bonds2

About 2-(benzenesulfonyl)cycloheptan-1-amine

2-(benzenesulfonyl)cycloheptan-1-amine (PubChem CID 62916688) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)cycloheptan-1-amine
PubChem CID62916688
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(benzenesulfonyl)cycloheptan-1-amine
SMILESNC1CCCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H19NO2S/c14-12-9-5-2-6-10-13(12)17(15,16)11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2
InChIKeyCYPZWKGDOHMZSH-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)cycloheptan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)cycloheptan-1-amine (CID 62916688) is 2-(benzenesulfonyl)cycloheptan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)cycloheptan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)cycloheptan-1-amine is NC1CCCCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)cycloheptan-1-amine?
The InChIKey is CYPZWKGDOHMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c14-12-9-5-2-6-10-13(12)17(15,16)11-7-3-1-4-8-11/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2.
What are the key properties of 2-(benzenesulfonyl)cycloheptan-1-amine?
2-(benzenesulfonyl)cycloheptan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)cycloheptan-1-amine is sourced from PubChem (CID 62916688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).