1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile

C13H18N2OS — CID 114000924

IUPAC1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2ccoc2C)C1
InChIInChI=1S/C13H18N2OS/c1-3-15-13(9-14)6-4-11(8-13)17-12-5-7-16-10(12)2/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyZPKCZXOVKGACBM-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.10
Rot. Bonds4

About 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile

1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile (PubChem CID 114000924) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
PubChem CID114000924
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Sc2ccoc2C)C1
InChIInChI=1S/C13H18N2OS/c1-3-15-13(9-14)6-4-11(8-13)17-12-5-7-16-10(12)2/h5,7,11,15H,3-4,6,8H2,1-2H3
InChIKeyZPKCZXOVKGACBM-UHFFFAOYSA-N
XLogP3.10
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 107781749
1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(ethylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79649514
N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
CID 107784243
1-(ethylamino)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79644889
1-(ethylamino)-3-quinazolin-4-ylsulfanylcyclopentane-1-carbonitrile
CID 79644882
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406
1-(ethylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636719
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79626442
3-(2,4-dimethylphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627940
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 79650156
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile (CID 114000924) is 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Sc2ccoc2C)C1.
What is the InChIKey of 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile?
The InChIKey is ZPKCZXOVKGACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-15-13(9-14)6-4-11(8-13)17-12-5-7-16-10(12)2/h5,7,11,15H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile?
1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile has a molecular weight of 250.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 114000924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).