N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine

C12H19NOS — CID 60663449

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
SMILESc1coc(CSCCNC2CCCC2)c1
InChIInChI=1S/C12H19NOS/c1-2-5-11(4-1)13-7-9-15-10-12-6-3-8-14-12/h3,6,8,11,13H,1-2,4-5,7,9-10H2
InChIKeyKWGNNAJPVLSDGQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine

N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine (PubChem CID 60663449) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
PubChem CID60663449
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
SMILESc1coc(CSCCNC2CCCC2)c1
InChIInChI=1S/C12H19NOS/c1-2-5-11(4-1)13-7-9-15-10-12-6-3-8-14-12/h3,6,8,11,13H,1-2,4-5,7,9-10H2
InChIKeyKWGNNAJPVLSDGQ-UHFFFAOYSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
N-[3-(furan-2-yl)propyl]cycloheptanamine
CID 60984430
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
CID 64821265
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine (CID 60663449) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine is c1coc(CSCCNC2CCCC2)c1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine?
The InChIKey is KWGNNAJPVLSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-5-11(4-1)13-7-9-15-10-12-6-3-8-14-12/h3,6,8,11,13H,1-2,4-5,7,9-10H2.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine has a molecular weight of 225.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine is sourced from PubChem (CID 60663449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).