1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide

C10H15N3O3S2 — CID 114081677

IUPAC1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C10H15N3O3S2/c1-10(9(12)14)2-3-13(6-10)18(15,16)8-4-7(11)5-17-8/h4-5H,2-3,6,11H2,1H3,(H2,12,14)
InChIKeyXMRLYOJWUHBUBR-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.22
Rot. Bonds3

About 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide

1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081677) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
PubChem CID114081677
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(S(=O)(=O)c2cc(N)cs2)C1
InChIInChI=1S/C10H15N3O3S2/c1-10(9(12)14)2-3-13(6-10)18(15,16)8-4-7(11)5-17-8/h4-5H,2-3,6,11H2,1H3,(H2,12,14)
InChIKeyXMRLYOJWUHBUBR-UHFFFAOYSA-N
XLogP0.22
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 61298781
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
CID 62936523
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 61298632
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 80577462
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
5-(4-hydroxy-4-methylazepan-1-yl)sulfonylthiophene-3-carboxylic acid
CID 107404041

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide (CID 114081677) is 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(S(=O)(=O)c2cc(N)cs2)C1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide?
The InChIKey is XMRLYOJWUHBUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-10(9(12)14)2-3-13(6-10)18(15,16)8-4-7(11)5-17-8/h4-5H,2-3,6,11H2,1H3,(H2,12,14).
What are the key properties of 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide?
1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).