3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide

C12H22N4O2S2 — CID 106093372

IUPAC3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCC1(SC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-4-13-7-10-11(9(2)15-16-10)20(17,18)14-8-12(19-3)5-6-12/h13-14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHVUXJKQUQNJAIB-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.00
Rot. Bonds8

About 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide

3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106093372) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106093372
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)NCC1(SC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-4-13-7-10-11(9(2)15-16-10)20(17,18)14-8-12(19-3)5-6-12/h13-14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHVUXJKQUQNJAIB-UHFFFAOYSA-N
XLogP1.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093156
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-(ethylaminomethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106031016
3-(ethylaminomethyl)-5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106013540
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
3-(ethylaminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085279
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
CID 106070171
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
5-methyl-N-(2-methylsulfanylpropyl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106077898

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide (CID 106093372) is 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide is CCNCc1n[nH]c(C)c1S(=O)(=O)NCC1(SC)CC1.
What is the InChIKey of 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is HVUXJKQUQNJAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-4-13-7-10-11(9(2)15-16-10)20(17,18)14-8-12(19-3)5-6-12/h13-14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide?
3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106093372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).