4-cyclopentylsulfonylbutan-2-amine

C9H19NO2S — CID 64674097

IUPAC4-cyclopentylsulfonylbutan-2-amine
SMILESCC(N)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19NO2S/c1-8(10)6-7-13(11,12)9-4-2-3-5-9/h8-9H,2-7,10H2,1H3
InChIKeyXZEQLKMHDIXMMO-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.08
Rot. Bonds4

About 4-cyclopentylsulfonylbutan-2-amine

4-cyclopentylsulfonylbutan-2-amine (PubChem CID 64674097) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-cyclopentylsulfonylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfonylbutan-2-amine
PubChem CID64674097
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-cyclopentylsulfonylbutan-2-amine
SMILESCC(N)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19NO2S/c1-8(10)6-7-13(11,12)9-4-2-3-5-9/h8-9H,2-7,10H2,1H3
InChIKeyXZEQLKMHDIXMMO-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonylbutan-2-amine?
The IUPAC name of 4-cyclopentylsulfonylbutan-2-amine (CID 64674097) is 4-cyclopentylsulfonylbutan-2-amine.
What is the SMILES notation for 4-cyclopentylsulfonylbutan-2-amine?
The canonical SMILES for 4-cyclopentylsulfonylbutan-2-amine is CC(N)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-cyclopentylsulfonylbutan-2-amine?
The InChIKey is XZEQLKMHDIXMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(10)6-7-13(11,12)9-4-2-3-5-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-cyclopentylsulfonylbutan-2-amine?
4-cyclopentylsulfonylbutan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonylbutan-2-amine is sourced from PubChem (CID 64674097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).