N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

C13H26N4O3S — CID 106067461

IUPACN-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NC(C)CCOC)cn1
InChIInChI=1S/C13H26N4O3S/c1-4-6-14-7-8-17-11-13(10-15-17)21(18,19)16-12(2)5-9-20-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyGHNDPSNGMDMRHZ-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.59
Rot. Bonds11

About N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106067461) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106067461
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NC(C)CCOC)cn1
InChIInChI=1S/C13H26N4O3S/c1-4-6-14-7-8-17-11-13(10-15-17)21(18,19)16-12(2)5-9-20-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyGHNDPSNGMDMRHZ-UHFFFAOYSA-N
XLogP0.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64604624
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (CID 106067461) is N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is CCCNCCn1cc(S(=O)(=O)NC(C)CCOC)cn1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is GHNDPSNGMDMRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-4-6-14-7-8-17-11-13(10-15-17)21(18,19)16-12(2)5-9-20-3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.59, 11 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)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106067461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).