5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile

C12H16N2S — CID 115929677

IUPAC5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
SMILESCC(NC1(C)CCC1)c1ccc(C#N)s1
InChIInChI=1S/C12H16N2S/c1-9(14-12(2)6-3-7-12)11-5-4-10(8-13)15-11/h4-5,9,14H,3,6-7H2,1-2H3
InChIKeyAAJOKNZZGIIPRR-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.21
Rot. Bonds3

About 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile

5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile (PubChem CID 115929677) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
PubChem CID115929677
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
SMILESCC(NC1(C)CCC1)c1ccc(C#N)s1
InChIInChI=1S/C12H16N2S/c1-9(14-12(2)6-3-7-12)11-5-4-10(8-13)15-11/h4-5,9,14H,3,6-7H2,1-2H3
InChIKeyAAJOKNZZGIIPRR-UHFFFAOYSA-N
XLogP3.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(3-methyloxolan-3-yl)amino]ethyl]thiophene-2-carbonitrile
CID 115922586
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
5-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903739
5-[1-(4-methoxybutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115869663
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
CID 113250034
5-(3-pyrrol-1-ylbutan-2-yl)thiophene-2-carbonitrile
CID 174346533
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile (CID 115929677) is 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile is CC(NC1(C)CCC1)c1ccc(C#N)s1.
What is the InChIKey of 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile?
The InChIKey is AAJOKNZZGIIPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(14-12(2)6-3-7-12)11-5-4-10(8-13)15-11/h4-5,9,14H,3,6-7H2,1-2H3.
What are the key properties of 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile?
5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115929677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).