2-(benzenesulfonyl)cyclohexan-1-amine

C12H17NO2S — CID 62918222

IUPAC2-(benzenesulfonyl)cyclohexan-1-amine
SMILESNC1CCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2
InChIKeyYDJZJFXBAJJNKP-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.73
Rot. Bonds2

About 2-(benzenesulfonyl)cyclohexan-1-amine

2-(benzenesulfonyl)cyclohexan-1-amine (PubChem CID 62918222) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)cyclohexan-1-amine
PubChem CID62918222
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(benzenesulfonyl)cyclohexan-1-amine
SMILESNC1CCCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2
InChIKeyYDJZJFXBAJJNKP-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)cyclohexan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)cyclohexan-1-amine (CID 62918222) is 2-(benzenesulfonyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)cyclohexan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)cyclohexan-1-amine is NC1CCCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)cyclohexan-1-amine?
The InChIKey is YDJZJFXBAJJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9,13H2.
What are the key properties of 2-(benzenesulfonyl)cyclohexan-1-amine?
2-(benzenesulfonyl)cyclohexan-1-amine has a molecular weight of 239.34 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)cyclohexan-1-amine is sourced from PubChem (CID 62918222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).