3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile

C10H15N3O3S2 — CID 103425081

IUPAC3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCOCC(C)Nc1sc(C#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H15N3O3S2/c1-6(5-16-2)13-10-9(18(3,14)15)8(12)7(4-11)17-10/h6,13H,5,12H2,1-3H3
InChIKeyLETJVNDYHZFISP-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.05
Rot. Bonds5

About 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile

3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile (PubChem CID 103425081) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
PubChem CID103425081
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile
SMILESCOCC(C)Nc1sc(C#N)c(N)c1S(C)(=O)=O
InChIInChI=1S/C10H15N3O3S2/c1-6(5-16-2)13-10-9(18(3,14)15)8(12)7(4-11)17-10/h6,13H,5,12H2,1-3H3
InChIKeyLETJVNDYHZFISP-UHFFFAOYSA-N
XLogP1.05
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425062
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
1-[3-amino-4-ethylsulfonyl-5-(1-methoxypropan-2-ylamino)thiophen-2-yl]propan-1-one
CID 103425037
3-amino-5-(1-methoxybutan-2-ylamino)-4-propan-2-yloxythiophene-2-carbonitrile
CID 103508232
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103425026
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075
3-amino-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carbonitrile
CID 103420922
3-amino-5-(1-methoxybutan-2-ylamino)-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103508194
4-amino-5-cyano-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508217
1-[3-amino-5-(1-methoxypropan-2-ylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425025
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile (CID 103425081) is 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile is COCC(C)Nc1sc(C#N)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile?
The InChIKey is LETJVNDYHZFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-6(5-16-2)13-10-9(18(3,14)15)8(12)7(4-11)17-10/h6,13H,5,12H2,1-3H3.
What are the key properties of 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile?
3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methoxypropan-2-ylamino)-4-methylsulfonylthiophene-2-carbonitrile is sourced from PubChem (CID 103425081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).