2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine

C13H21NOS — CID 63119247

IUPAC2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)SCC2CCCC2)o1
InChIInChI=1S/C13H21NOS/c1-10-6-7-12(15-10)13(8-14)16-9-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9,14H2,1H3
InChIKeyKPWIKERNGBTBMU-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.51
Rot. Bonds5

About 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine

2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 63119247) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID63119247
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)SCC2CCCC2)o1
InChIInChI=1S/C13H21NOS/c1-10-6-7-12(15-10)13(8-14)16-9-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9,14H2,1H3
InChIKeyKPWIKERNGBTBMU-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Methylfuran-2-yl)ethan-1-amine
CID 14933778
N-[2-(5-methylfuran-2-yl)ethyl]cyclopentanecarboxamide
CID 45817470
2-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-[2-(5-methyl-2-furyl)ethyl]acetamide
CID 90647476
2-(2,5-Difluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 61644583
2-(4-Fluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 61644767
2-(3,4-Difluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 61645079
2-(2,4-Difluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 61645207
2-(2-Fluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 61645280
2-(3-Fluorophenyl)sulfanyl-2-(5-methylfuran-2-yl)ethanamine
CID 80065899
2-[5-(Trifluoromethyl)furan-2-yl]propan-1-amine
CID 82656590
3-Fluoro-2-(5-methylfuran-2-yl)propan-1-amine
CID 83815531
3,3,3-Trifluoro-2-(5-methylfuran-2-yl)propan-1-amine
CID 165631561

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine (CID 63119247) is 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)SCC2CCCC2)o1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is KPWIKERNGBTBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-6-7-12(15-10)13(8-14)16-9-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9,14H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine?
2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 63119247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).