4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine

C13H27NOS — CID 115721085

IUPAC4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCCCS(C)=O
InChIInChI=1S/C13H27NOS/c1-12(14-10-5-11-16(2)15)8-9-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyZVZUNDWNYGPTON-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds8

About 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine

4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine (PubChem CID 115721085) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
PubChem CID115721085
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine
SMILESCC(CCC1CCCC1)NCCCS(C)=O
InChIInChI=1S/C13H27NOS/c1-12(14-10-5-11-16(2)15)8-9-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3
InChIKeyZVZUNDWNYGPTON-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyl-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720838
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
3-methylsulfinyl-N-propan-2-ylpropan-1-amine
CID 64655620
4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
CID 122127314
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
5-cyclopentyl-N-propylpentan-2-amine
CID 64504022
N-(cycloheptylmethyl)-3-methylsulfinylpropan-1-amine
CID 115685658
2-(4-cyclohexylbutan-2-ylamino)-N-methylacetamide
CID 115706807
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine (CID 115721085) is 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine is CC(CCC1CCCC1)NCCCS(C)=O.
What is the InChIKey of 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine?
The InChIKey is ZVZUNDWNYGPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-12(14-10-5-11-16(2)15)8-9-13-6-3-4-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine?
4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(3-methylsulfinylpropyl)butan-2-amine is sourced from PubChem (CID 115721085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).