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

C12H18N4O2S2 — CID 79488128

IUPAC4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)N(C)CCc2cccs2)c1CN
InChIInChI=1S/C12H18N4O2S2/c1-9-11(8-13)12(15-14-9)20(17,18)16(2)6-5-10-4-3-7-19-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyBCJQOPBOCMWQTR-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.10
Rot. Bonds6

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

4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 79488128) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide
PubChem CID79488128
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)N(C)CCc2cccs2)c1CN
InChIInChI=1S/C12H18N4O2S2/c1-9-11(8-13)12(15-14-9)20(17,18)16(2)6-5-10-4-3-7-19-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyBCJQOPBOCMWQTR-UHFFFAOYSA-N
XLogP1.10
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 79489676
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide (CID 79488128) is 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)N(C)CCc2cccs2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is BCJQOPBOCMWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-9-11(8-13)12(15-14-9)20(17,18)16(2)6-5-10-4-3-7-19-10/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.10, 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-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 79488128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).