1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile

C12H22N2OS — CID 79650156

IUPAC1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(SC(C)CCO)C1
InChIInChI=1S/C12H22N2OS/c1-3-14-12(9-13)6-4-11(8-12)16-10(2)5-7-15/h10-11,14-15H,3-8H2,1-2H3
InChIKeyNLSFBCVILWEJPH-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.91
Rot. Bonds6

About 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile (PubChem CID 79650156) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
PubChem CID79650156
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(SC(C)CCO)C1
InChIInChI=1S/C12H22N2OS/c1-3-14-12(9-13)6-4-11(8-12)16-10(2)5-7-15/h10-11,14-15H,3-8H2,1-2H3
InChIKeyNLSFBCVILWEJPH-UHFFFAOYSA-N
XLogP1.91
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentane-1-carbonitrile
CID 107754976
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
3-butan-2-ylsulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79650293
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79655921
1-(ethylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636546
3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107771668
2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide
CID 114234320
3-[butan-2-yl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79638951
1-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylcyclopentane-1-carbonitrile
CID 114000924
1-(ethylamino)-3-[ethyl(2-ethylbutyl)amino]cyclopentane-1-carbonitrile
CID 79639672
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 115383406
3-[cyclopropylmethyl(ethyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79639179

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile (CID 79650156) is 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(SC(C)CCO)C1.
What is the InChIKey of 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile?
The InChIKey is NLSFBCVILWEJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-14-12(9-13)6-4-11(8-12)16-10(2)5-7-15/h10-11,14-15H,3-8H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile has a molecular weight of 242.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-hydroxybutan-2-ylsulfanyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).