3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide

C12H21N3O3S2 — CID 103423168

IUPAC3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCC)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-4-6-14-11(16)9-8(13)10(20(3,17)18)12(19-9)15-7-5-2/h15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyJPRBKKJHAIVWNM-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.70
Rot. Bonds7

About 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide

3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide (PubChem CID 103423168) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
PubChem CID103423168
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCC)c(S(C)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S2/c1-4-6-14-11(16)9-8(13)10(20(3,17)18)12(19-9)15-7-5-2/h15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyJPRBKKJHAIVWNM-UHFFFAOYSA-N
XLogP1.70
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(butylamino)-4-methylsulfonylthiophene-2-carboxylate
CID 103425238
1-[3-amino-5-(butylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103425192
3-amino-5-(hexylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103420091
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-5-(2-ethoxyethylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103428640
3-amino-5-(3-methoxypropylamino)-N,N-dimethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103427044
1-[3-amino-5-(ethylamino)-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424424
3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
3-amino-5-(butan-2-ylamino)-N-ethyl-4-methylsulfonylthiophene-2-carboxamide
CID 103423583
3-amino-N-ethyl-5-(3-methylbutan-2-ylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103426936
1-[3-amino-5-[2-(dimethylamino)ethylamino]-4-methylsulfonylthiophen-2-yl]propan-1-one
CID 103424294
3-amino-N-ethyl-5-(ethylamino)-4-ethylsulfonylthiophene-2-carboxamide
CID 103424469

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide (CID 103423168) is 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide is CCCNC(=O)c1sc(NCCC)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide?
The InChIKey is JPRBKKJHAIVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-4-6-14-11(16)9-8(13)10(20(3,17)18)12(19-9)15-7-5-2/h15H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide?
3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfonyl-N-propyl-5-(propylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103423168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).