3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide

C12H22N4O2S — CID 107402923

IUPAC3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C12H22N4O2S/c1-3-16(8-10-5-4-6-10)19(17,18)12-9(2)14-15-11(12)7-13/h10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXWBIZDVTDSHLPV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.99
Rot. Bonds6

About 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 107402923) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID107402923
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C12H22N4O2S/c1-3-16(8-10-5-4-6-10)19(17,18)12-9(2)14-15-11(12)7-13/h10H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXWBIZDVTDSHLPV-UHFFFAOYSA-N
XLogP0.99
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79308845
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1H-pyrrole-3-sulfonamide
CID 107402894
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107398229
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114109939
3-(chloromethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470825
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide (CID 107402923) is 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1c(CN)n[nH]c1C.
What is the InChIKey of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XWBIZDVTDSHLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-16(8-10-5-4-6-10)19(17,18)12-9(2)14-15-11(12)7-13/h10H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107402923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).