4-cyclopentylsulfanyl-N-methylbutan-1-amine

C10H21NS — CID 63115700

IUPAC4-cyclopentylsulfanyl-N-methylbutan-1-amine
SMILESCNCCCCSC1CCCC1
InChIInChI=1S/C10H21NS/c1-11-8-4-5-9-12-10-6-2-3-7-10/h10-11H,2-9H2,1H3
InChIKeyOTKBQRGIIPFWFA-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds6

About 4-cyclopentylsulfanyl-N-methylbutan-1-amine

4-cyclopentylsulfanyl-N-methylbutan-1-amine (PubChem CID 63115700) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-N-methylbutan-1-amine
PubChem CID63115700
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-cyclopentylsulfanyl-N-methylbutan-1-amine
SMILESCNCCCCSC1CCCC1
InChIInChI=1S/C10H21NS/c1-11-8-4-5-9-12-10-6-2-3-7-10/h10-11H,2-9H2,1H3
InChIKeyOTKBQRGIIPFWFA-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
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

2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477
hexylsulfanylcyclopentane
CID 534970
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
octylsulfanylcycloheptane
CID 70441156
butylsulfanylcycloheptane
CID 14970942
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
4-cyclopentylsulfanylbutylcyclohexane
CID 166876446
propylsulfanylcyclopentane
CID 534899
6-cyclohexylsulfanylhexan-2-amine
CID 64633438
N-(2-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-N-methylbutan-1-amine?
The IUPAC name of 4-cyclopentylsulfanyl-N-methylbutan-1-amine (CID 63115700) is 4-cyclopentylsulfanyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-N-methylbutan-1-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-N-methylbutan-1-amine is CNCCCCSC1CCCC1.
What is the InChIKey of 4-cyclopentylsulfanyl-N-methylbutan-1-amine?
The InChIKey is OTKBQRGIIPFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-11-8-4-5-9-12-10-6-2-3-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-cyclopentylsulfanyl-N-methylbutan-1-amine?
4-cyclopentylsulfanyl-N-methylbutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-N-methylbutan-1-amine is sourced from PubChem (CID 63115700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).