3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide

C13H24N4O2S2 — CID 106081577

IUPAC3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NC2CCCSC2)c1C
InChIInChI=1S/C13H24N4O2S2/c1-10-13(11(2)17(15-10)7-6-14-3)21(18,19)16-12-5-4-8-20-9-12/h12,14,16H,4-9H2,1-3H3
InChIKeyBGMOPEFLZNLFLS-UHFFFAOYSA-N
MW332.50 g/mol
LogP0.89
Rot. Bonds6

About 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide

3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide (PubChem CID 106081577) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
PubChem CID106081577
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NC2CCCSC2)c1C
InChIInChI=1S/C13H24N4O2S2/c1-10-13(11(2)17(15-10)7-6-14-3)21(18,19)16-12-5-4-8-20-9-12/h12,14,16H,4-9H2,1-3H3
InChIKeyBGMOPEFLZNLFLS-UHFFFAOYSA-N
XLogP0.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
N-(1-cyclopropylpropan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106065859
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
CID 106075859
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
4-(methylamino)-N-(thian-3-yl)butane-1-sulfonamide
CID 106081409
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 114142410
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide (CID 106081577) is 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide is CNCCn1nc(C)c(S(=O)(=O)NC2CCCSC2)c1C.
What is the InChIKey of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide?
The InChIKey is BGMOPEFLZNLFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-10-13(11(2)17(15-10)7-6-14-3)21(18,19)16-12-5-4-8-20-9-12/h12,14,16H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide?
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(thian-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106081577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).