1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide

C12H24N4O2S2 — CID 115988244

IUPAC1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)nn(CCCN)c1C
InChIInChI=1S/C12H24N4O2S2/c1-10-12(11(2)16(14-10)7-5-6-13)20(17,18)15(3)8-9-19-4/h5-9,13H2,1-4H3
InChIKeySAMCSHRBBOWING-UHFFFAOYSA-N
MW320.48 g/mol
LogP0.83
Rot. Bonds8

About 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide (PubChem CID 115988244) has the molecular formula C12H24N4O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
PubChem CID115988244
Molecular FormulaC12H24N4O2S2
Molecular Weight320.48 g/mol
Exact Mass320.13
IUPAC Name1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1c(C)nn(CCCN)c1C
InChIInChI=1S/C12H24N4O2S2/c1-10-12(11(2)16(14-10)7-5-6-13)20(17,18)15(3)8-9-19-4/h5-9,13H2,1-4H3
InChIKeySAMCSHRBBOWING-UHFFFAOYSA-N
XLogP0.83
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024786
8-(1,3,5-Trimethylpyrazol-4-yl)sulfonyl-1,4-dithia-8-azaspiro[4.5]decane
CID 155542317
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 8898142
N-{(3S*,4R*)-4-isopropyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinyl}methanesulfonamide
CID 70742820
N-cycloheptyl-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582879
1-((1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 25247678

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide (CID 115988244) is 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide is CSCCN(C)S(=O)(=O)c1c(C)nn(CCCN)c1C.
What is the InChIKey of 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
The InChIKey is SAMCSHRBBOWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S2/c1-10-12(11(2)16(14-10)7-5-6-13)20(17,18)15(3)8-9-19-4/h5-9,13H2,1-4H3.
What are the key properties of 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 115988244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).