2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine

C13H21NOS — CID 63277949

IUPAC2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine
SMILESCSCc1ccc(CNC2CCCC2C)o1
InChIInChI=1S/C13H21NOS/c1-10-4-3-5-13(10)14-8-11-6-7-12(15-11)9-16-2/h6-7,10,13-14H,3-5,8-9H2,1-2H3
InChIKeyUDDNGJVYKRNSGS-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.42
Rot. Bonds5

About 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine

2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine (PubChem CID 63277949) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine
PubChem CID63277949
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine
SMILESCSCc1ccc(CNC2CCCC2C)o1
InChIInChI=1S/C13H21NOS/c1-10-4-3-5-13(10)14-8-11-6-7-12(15-11)9-16-2/h6-7,10,13-14H,3-5,8-9H2,1-2H3
InChIKeyUDDNGJVYKRNSGS-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine with MolForge

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 63278186
[5-[[(2-methylcyclohexyl)amino]methyl]furan-2-yl]methanol
CID 64578590
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783466
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopropan-1-amine
CID 61222112
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786832
[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787465
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396351
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 43080449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine (CID 63277949) is 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine is CSCc1ccc(CNC2CCCC2C)o1.
What is the InChIKey of 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine?
The InChIKey is UDDNGJVYKRNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-4-3-5-13(10)14-8-11-6-7-12(15-11)9-16-2/h6-7,10,13-14H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine?
2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 63277949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).