3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine

C11H23NOS — CID 64654658

IUPAC3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)CC1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(12-3)10(2)14(13)8-11-6-4-5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyORTJFKSAMCEZEG-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.92
Rot. Bonds5

About 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine

3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine (PubChem CID 64654658) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine
PubChem CID64654658
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)CC1CCCC1
InChIInChI=1S/C11H23NOS/c1-9(12-3)10(2)14(13)8-11-6-4-5-7-11/h9-12H,4-8H2,1-3H3
InChIKeyORTJFKSAMCEZEG-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine (CID 64654658) is 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine is CNC(C)C(C)S(=O)CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine?
The InChIKey is ORTJFKSAMCEZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(12-3)10(2)14(13)8-11-6-4-5-7-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine?
3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfinyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64654658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).