5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide

C7H14N4O2S2 — CID 112656604

IUPAC5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C7H14N4O2S2/c1-11(3-4-14-2)15(12,13)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyNBKGJZCOJRNUOF-UHFFFAOYSA-N
MW250.35 g/mol
LogP-0.02
Rot. Bonds5

About 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 112656604) has the molecular formula C7H14N4O2S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID112656604
Molecular FormulaC7H14N4O2S2
Molecular Weight250.35 g/mol
Exact Mass250.06
IUPAC Name5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C7H14N4O2S2/c1-11(3-4-14-2)15(12,13)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyNBKGJZCOJRNUOF-UHFFFAOYSA-N
XLogP-0.02
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
5-amino-N-propan-2-yl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60809109
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656609
5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113484
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
4-amino-2-cyano-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656535

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide (CID 112656604) is 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide is CSCCN(C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NBKGJZCOJRNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S2/c1-11(3-4-14-2)15(12,13)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 250.35 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).