3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

C12H18N4O2S2 — CID 60809602

IUPAC3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-3-5-16-8-11(12(13)14-16)20(17,18)15(2)7-10-4-6-19-9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,14)
InChIKeyOIACSJCWRGHUAH-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide

3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 60809602) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID60809602
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-3-5-16-8-11(12(13)14-16)20(17,18)15(2)7-10-4-6-19-9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,14)
InChIKeyOIACSJCWRGHUAH-UHFFFAOYSA-N
XLogP1.76
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide (CID 60809602) is 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2ccsc2)c(N)n1.
What is the InChIKey of 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is OIACSJCWRGHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-5-16-8-11(12(13)14-16)20(17,18)15(2)7-10-4-6-19-9-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).