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

C13H26N4O3S — CID 106067618

IUPACN-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NC(C)CCOC)c1C
InChIInChI=1S/C13H26N4O3S/c1-10(6-9-20-5)16-21(18,19)13-11(2)15-17(12(13)3)8-7-14-4/h10,14,16H,6-9H2,1-5H3
InChIKeyONOQCTJFSZMLMW-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.42
Rot. Bonds9

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

N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106067618) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106067618
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1nc(C)c(S(=O)(=O)NC(C)CCOC)c1C
InChIInChI=1S/C13H26N4O3S/c1-10(6-9-20-5)16-21(18,19)13-11(2)15-17(12(13)3)8-7-14-4/h10,14,16H,6-9H2,1-5H3
InChIKeyONOQCTJFSZMLMW-UHFFFAOYSA-N
XLogP0.42
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-pentan-3-ylpyrazole-4-sulfonamide
CID 106032215
N',N',3,5-tetramethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonohydrazide
CID 114141849
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106083978
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 106030085
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-(2H-tetrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106051653
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
3,5-dimethyl-1-[2-(methylamino)ethyl]-N-morpholin-4-ylpyrazole-4-sulfonamide
CID 106075859
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 52508835
1-(2-aminoethyl)-N-(3-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106050761

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106067618) is N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1nc(C)c(S(=O)(=O)NC(C)CCOC)c1C.
What is the InChIKey of N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is ONOQCTJFSZMLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-10(6-9-20-5)16-21(18,19)13-11(2)15-17(12(13)3)8-7-14-4/h10,14,16H,6-9H2,1-5H3.
What are the key properties of N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106067618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).