4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine

C12H25NOS — CID 115720838

IUPAC4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCCS(C)=O
InChIInChI=1S/C12H25NOS/c1-11(13-9-10-15(2)14)7-8-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyBNWSGNAUTPSMGR-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.31
Rot. Bonds7

About 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine

4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine (PubChem CID 115720838) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
PubChem CID115720838
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCCS(C)=O
InChIInChI=1S/C12H25NOS/c1-11(13-9-10-15(2)14)7-8-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyBNWSGNAUTPSMGR-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115721085
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
CID 122127314
N-(2-methylsulfinylethyl)-1-(oxan-4-yl)propan-2-amine
CID 115720867
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
(3R)-3-(2-cycloheptylethylamino)butan-1-ol
CID 28957329
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
4-cyclopentyl-N-(2-methylsulfanylpropyl)butan-2-amine
CID 115895600
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine (CID 115720838) is 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine is CC(CCC1CCCC1)NCCS(C)=O.
What is the InChIKey of 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine?
The InChIKey is BNWSGNAUTPSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(13-9-10-15(2)14)7-8-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine?
4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine is sourced from PubChem (CID 115720838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).