4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide

C13H20N4O2S2 — CID 79489676

IUPAC4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1CN
InChIInChI=1S/C13H20N4O2S2/c1-9(7-11-5-4-6-20-11)17(3)21(18,19)13-12(8-14)10(2)15-16-13/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyXXKLLHSVPJCSOG-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.49
Rot. Bonds6

About 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide (PubChem CID 79489676) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
PubChem CID79489676
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1CN
InChIInChI=1S/C13H20N4O2S2/c1-9(7-11-5-4-6-20-11)17(3)21(18,19)13-12(8-14)10(2)15-16-13/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyXXKLLHSVPJCSOG-UHFFFAOYSA-N
XLogP1.49
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide
CID 79488128
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 79493978
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79487562
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
1-butan-2-yl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazole-4-sulfonamide
CID 71851155
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide (CID 79489676) is 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)N(C)C(C)Cc2cccs2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide?
The InChIKey is XXKLLHSVPJCSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-9(7-11-5-4-6-20-11)17(3)21(18,19)13-12(8-14)10(2)15-16-13/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 79489676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).