3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile

C11H15N3O2S2 — CID 103509759

IUPAC3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCC1CCN(c2sc(C#N)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C11H15N3O2S2/c1-7-3-4-14(6-7)11-10(18(2,15)16)9(13)8(5-12)17-11/h7H,3-4,6,13H2,1-2H3
InChIKeySBFIDYKRWHNMCB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.45
Rot. Bonds2

About 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile

3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile (PubChem CID 103509759) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
PubChem CID103509759
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCC1CCN(c2sc(C#N)c(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C11H15N3O2S2/c1-7-3-4-14(6-7)11-10(18(2,15)16)9(13)8(5-12)17-11/h7H,3-4,6,13H2,1-2H3
InChIKeySBFIDYKRWHNMCB-UHFFFAOYSA-N
XLogP1.45
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
CID 103542392
3-amino-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103509706
3-amino-4-ethylsulfonyl-5-(4-methylazepan-1-yl)thiophene-2-carbonitrile
CID 103422050
3-amino-4-ethylsulfonyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carbonitrile
CID 103421567
3-amino-N-ethyl-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103509700
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-ethylsulfonylthiophene-2-carbonitrile
CID 106674887
3-amino-N-methyl-5-(3-methylpiperidin-1-yl)-4-methylsulfonylthiophene-2-carboxamide
CID 103419467
3-amino-5-(3,5-dimethylpiperidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103418511
3-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-2,4-dicarbonitrile
CID 103421966
3-amino-4-ethylsulfonyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509742
3-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylsulfonylthiophene-2-carbonitrile
CID 103509263
4-amino-5-cyano-2-(3,4-dimethylpiperidin-1-yl)-N-methylthiophene-3-carboxamide
CID 103507228

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile (CID 103509759) is 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile is CC1CCN(c2sc(C#N)c(N)c2S(C)(=O)=O)C1.
What is the InChIKey of 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile?
The InChIKey is SBFIDYKRWHNMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-7-3-4-14(6-7)11-10(18(2,15)16)9(13)8(5-12)17-11/h7H,3-4,6,13H2,1-2H3.
What are the key properties of 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile?
3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 103509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).