4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine

C11H23NO2S — CID 64674727

IUPAC4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
SMILESCNC(C)CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(12-2)7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeyPRIPDRFVELYHLD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine

4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine (PubChem CID 64674727) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
PubChem CID64674727
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
SMILESCNC(C)CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C11H23NO2S/c1-10(12-2)7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3
InChIKeyPRIPDRFVELYHLD-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine (CID 64674727) is 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine is CNC(C)CCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine?
The InChIKey is PRIPDRFVELYHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(12-2)7-8-15(13,14)9-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine?
4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64674727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).