1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine

C13H21NOS — CID 63115035

IUPAC1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1ccco1
InChIInChI=1S/C13H21NOS/c1-2-11(14)13(12-8-5-9-15-12)16-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7,14H2,1H3
InChIKeyNLFGCDCYBKRKOJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.73
Rot. Bonds5

About 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine

1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine (PubChem CID 63115035) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
PubChem CID63115035
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1ccco1
InChIInChI=1S/C13H21NOS/c1-2-11(14)13(12-8-5-9-15-12)16-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7,14H2,1H3
InChIKeyNLFGCDCYBKRKOJ-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538085
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688
1-(3-bromophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538084
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-(oxan-4-ylsulfanyl)-1-thiophen-2-ylbutan-2-amine
CID 62995172
(1R,2S)-2-amino-3-cyclohexyl-1-(furan-2-yl)pentan-1-ol
CID 70048188
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(2-ethylcyclohexyl)-(furan-2-yl)methanol
CID 63861285
2-amino-3-cyclohexyl-3-(furan-2-yl)propan-1-ol
CID 70050486
2-cyclohexylsulfanyl-1-phenylbutan-1-amine
CID 64632648
2-amino-3-cyclohexyl-1-(furan-2-yl)propan-1-ol
CID 19378615

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine (CID 63115035) is 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine is CCC(N)C(SC1CCCC1)c1ccco1.
What is the InChIKey of 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine?
The InChIKey is NLFGCDCYBKRKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-2-11(14)13(12-8-5-9-15-12)16-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7,14H2,1H3.
What are the key properties of 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine?
1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 63115035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).