3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile

C11H15N3O2S2 — CID 103423960

IUPAC3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCS(=O)(=O)c1c(NC2CCCC2)sc(C#N)c1N
InChIInChI=1S/C11H15N3O2S2/c1-18(15,16)10-9(13)8(6-12)17-11(10)14-7-4-2-3-5-7/h7,14H,2-5,13H2,1H3
InChIKeyLSAROSLKOMPSMV-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile

3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile (PubChem CID 103423960) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
PubChem CID103423960
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCS(=O)(=O)c1c(NC2CCCC2)sc(C#N)c1N
InChIInChI=1S/C11H15N3O2S2/c1-18(15,16)10-9(13)8(6-12)17-11(10)14-7-4-2-3-5-7/h7,14H,2-5,13H2,1H3
InChIKeyLSAROSLKOMPSMV-UHFFFAOYSA-N
XLogP1.96
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile (CID 103423960) is 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile is CS(=O)(=O)c1c(NC2CCCC2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The InChIKey is LSAROSLKOMPSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-18(15,16)10-9(13)8(6-12)17-11(10)14-7-4-2-3-5-7/h7,14H,2-5,13H2,1H3.
What are the key properties of 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile?
3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 103423960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).