3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide

C12H20N4OS2 — CID 103524953

IUPAC3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide
SMILESCSc1c(N2CCNCC2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H20N4OS2/c1-15(2)11(17)9-8(13)10(18-3)12(19-9)16-6-4-14-5-7-16/h14H,4-7,13H2,1-3H3
InChIKeyCEIPDPHPIFHMFF-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.16
Rot. Bonds3

About 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide

3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide (PubChem CID 103524953) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide
PubChem CID103524953
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide
SMILESCSc1c(N2CCNCC2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H20N4OS2/c1-15(2)11(17)9-8(13)10(18-3)12(19-9)16-6-4-14-5-7-16/h14H,4-7,13H2,1-3H3
InChIKeyCEIPDPHPIFHMFF-UHFFFAOYSA-N
XLogP1.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103506683
3-amino-2-N,2-N-dimethyl-5-piperazin-1-ylthiophene-2,4-dicarboxamide
CID 103525005
3-amino-5-(3-hydroxypyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103421577
1-[3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103419298
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384
3-amino-N,N-dimethyl-4-methylsulfonyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419875
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
3-amino-N-ethyl-5-(4-ethylpiperazin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103418732
[3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103418357
1-[3-amino-4-methylsulfanyl-5-(1,4-thiazepan-4-yl)thiophen-2-yl]ethanone
CID 103418048
3-amino-4-methylsulfanyl-5-(4-propan-2-ylazepan-1-yl)thiophene-2-carboxamide
CID 103422615
3-amino-5-[4-(hydroxymethyl)piperidin-1-yl]-N-methyl-4-methylsulfanylthiophene-2-carboxamide
CID 103418336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide (CID 103524953) is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide is CSc1c(N2CCNCC2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide?
The InChIKey is CEIPDPHPIFHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-15(2)11(17)9-8(13)10(18-3)12(19-9)16-6-4-14-5-7-16/h14H,4-7,13H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide?
3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-piperazin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103524953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).