3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile

C9H10N2S2 — CID 103526708

IUPAC3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
SMILESCSc1sc(C#N)c(N)c1C1CC1
InChIInChI=1S/C9H10N2S2/c1-12-9-7(5-2-3-5)8(11)6(4-10)13-9/h5H,2-3,11H2,1H3
InChIKeyGNFPRVQEABGQRN-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.80
Rot. Bonds2

About 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile (PubChem CID 103526708) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
PubChem CID103526708
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
SMILESCSc1sc(C#N)c(N)c1C1CC1
InChIInChI=1S/C9H10N2S2/c1-12-9-7(5-2-3-5)8(11)6(4-10)13-9/h5H,2-3,11H2,1H3
InChIKeyGNFPRVQEABGQRN-UHFFFAOYSA-N
XLogP2.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526642
3-amino-4-cyclopropyl-5-(4-propylpiperazin-1-yl)thiophene-2-carbonitrile
CID 103418683
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
CID 103505429
3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
3-amino-5-[(3-bromophenyl)methyl-methylamino]-4-cyclopropylthiophene-2-carbonitrile
CID 103526611
3-hydroxy-5-methylsulfanylthiophene-2,4-dicarbonitrile
CID 14119770
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile (CID 103526708) is 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile is CSc1sc(C#N)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile?
The InChIKey is GNFPRVQEABGQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-12-9-7(5-2-3-5)8(11)6(4-10)13-9/h5H,2-3,11H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile has a molecular weight of 210.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile is sourced from PubChem (CID 103526708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).