3-cyclohexylsulfonylbutan-1-amine

C10H21NO2S — CID 64698665

IUPAC3-cyclohexylsulfonylbutan-1-amine
SMILESCC(CCN)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-9(7-8-11)14(12,13)10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyVJMTWEDQYYVHNJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.47
Rot. Bonds4

About 3-cyclohexylsulfonylbutan-1-amine

3-cyclohexylsulfonylbutan-1-amine (PubChem CID 64698665) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-cyclohexylsulfonylbutan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfonylbutan-1-amine
PubChem CID64698665
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-cyclohexylsulfonylbutan-1-amine
SMILESCC(CCN)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H21NO2S/c1-9(7-8-11)14(12,13)10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyVJMTWEDQYYVHNJ-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonylbutan-1-amine?
The IUPAC name of 3-cyclohexylsulfonylbutan-1-amine (CID 64698665) is 3-cyclohexylsulfonylbutan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfonylbutan-1-amine?
The canonical SMILES for 3-cyclohexylsulfonylbutan-1-amine is CC(CCN)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfonylbutan-1-amine?
The InChIKey is VJMTWEDQYYVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(7-8-11)14(12,13)10-5-3-2-4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-cyclohexylsulfonylbutan-1-amine?
3-cyclohexylsulfonylbutan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonylbutan-1-amine is sourced from PubChem (CID 64698665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).