3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide

C9H14N2OS2 — CID 103526738

IUPAC3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(SC)cc1N
InChIInChI=1S/C9H14N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyCEJOKVAAUADZCR-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide

3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide (PubChem CID 103526738) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
PubChem CID103526738
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(SC)cc1N
InChIInChI=1S/C9H14N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyCEJOKVAAUADZCR-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417808
N-ethyl-5-methylsulfanyl-3-trimethylsilylthiophene-2-carboxamide
CID 12039968
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
CID 103417381
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103506771
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide (CID 103526738) is 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(SC)cc1N.
What is the InChIKey of 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide?
The InChIKey is CEJOKVAAUADZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-3-4-11-9(12)8-6(10)5-7(13-2)14-8/h5H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide?
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide has a molecular weight of 230.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103526738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).