2-cyclopentyl-4-methylsulfonylbutan-1-amine

C10H21NO2S — CID 112569568

IUPAC2-cyclopentyl-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCC(CN)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-14(12,13)7-6-10(8-11)9-4-2-3-5-9/h9-10H,2-8,11H2,1H3
InChIKeyDBYUKIOQUWOILZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.19
Rot. Bonds5

About 2-cyclopentyl-4-methylsulfonylbutan-1-amine

2-cyclopentyl-4-methylsulfonylbutan-1-amine (PubChem CID 112569568) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-methylsulfonylbutan-1-amine
PubChem CID112569568
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-cyclopentyl-4-methylsulfonylbutan-1-amine
SMILESCS(=O)(=O)CCC(CN)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-14(12,13)7-6-10(8-11)9-4-2-3-5-9/h9-10H,2-8,11H2,1H3
InChIKeyDBYUKIOQUWOILZ-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-cyclopentyl-4-methylsulfonylbutan-1-amine (CID 112569568) is 2-cyclopentyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-methylsulfonylbutan-1-amine is CS(=O)(=O)CCC(CN)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-methylsulfonylbutan-1-amine?
The InChIKey is DBYUKIOQUWOILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14(12,13)7-6-10(8-11)9-4-2-3-5-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-cyclopentyl-4-methylsulfonylbutan-1-amine?
2-cyclopentyl-4-methylsulfonylbutan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 112569568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).