3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide

C13H26N4O2S — CID 106032215

IUPAC3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1c(C)nn(CCNC)c1C
InChIInChI=1S/C13H26N4O2S/c1-6-12(7-2)16-20(18,19)13-10(3)15-17(11(13)4)9-8-14-5/h12,14,16H,6-9H2,1-5H3
InChIKeyLKADLKUHGHBYIP-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.19
Rot. Bonds8

About 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide

3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide (PubChem CID 106032215) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
PubChem CID106032215
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1c(C)nn(CCNC)c1C
InChIInChI=1S/C13H26N4O2S/c1-6-12(7-2)16-20(18,19)13-10(3)15-17(11(13)4)9-8-14-5/h12,14,16H,6-9H2,1-5H3
InChIKeyLKADLKUHGHBYIP-UHFFFAOYSA-N
XLogP1.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106067618
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 106030085
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
CID 106075859
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
CID 106081577
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106051653
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1-[3-(ethylamino)propyl]-N',N',3,5-tetramethylpyrazole-4-sulfonohydrazide
CID 106074873

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide (CID 106032215) is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide is CCC(CC)NS(=O)(=O)c1c(C)nn(CCNC)c1C.
What is the InChIKey of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide?
The InChIKey is LKADLKUHGHBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-12(7-2)16-20(18,19)13-10(3)15-17(11(13)4)9-8-14-5/h12,14,16H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide?
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106032215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).