3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C13H24N4O2S2 — CID 106084016

IUPAC3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C
InChIInChI=1S/C13H24N4O2S2/c1-4-10(8-20-3)17-21(18,19)13-9(2)15-16-12(13)7-14-11-5-6-11/h10-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyCIOAXLJPYXUQCP-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.39
Rot. Bonds9

About 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide

3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 106084016) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID106084016
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C
InChIInChI=1S/C13H24N4O2S2/c1-4-10(8-20-3)17-21(18,19)13-9(2)15-16-12(13)7-14-11-5-6-11/h10-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyCIOAXLJPYXUQCP-UHFFFAOYSA-N
XLogP1.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclopropylamino)methyl]-5-methyl-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106331735
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 106081354
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410874
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
3-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81064006
N-(1-methoxypentan-2-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106068450
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
N-[(2R)-1-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103918614

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 106084016) is 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CCC(CSC)NS(=O)(=O)c1c(CNC2CC2)n[nH]c1C.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CIOAXLJPYXUQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-4-10(8-20-3)17-21(18,19)13-9(2)15-16-12(13)7-14-11-5-6-11/h10-11,14,17H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-methyl-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106084016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).