N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

C13H24N4O3S — CID 106076162

IUPACN-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NC2CCOC2C)cn1
InChIInChI=1S/C13H24N4O3S/c1-3-5-14-6-7-17-10-12(9-15-17)21(18,19)16-13-4-8-20-11(13)2/h9-11,13-14,16H,3-8H2,1-2H3
InChIKeyIWZZZABHFHORQK-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.34
Rot. Bonds8

About N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide

N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106076162) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106076162
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCCNCCn1cc(S(=O)(=O)NC2CCOC2C)cn1
InChIInChI=1S/C13H24N4O3S/c1-3-5-14-6-7-17-10-12(9-15-17)21(18,19)16-13-4-8-20-11(13)2/h9-11,13-14,16H,3-8H2,1-2H3
InChIKeyIWZZZABHFHORQK-UHFFFAOYSA-N
XLogP0.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.34
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

1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
N-(2,3-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106060298
3-amino-N-(2-methyloxolan-3-yl)-1-propylpyrazole-4-sulfonamide
CID 82725524
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-(2-hydroxyethyl)-N-(2-methyloxan-4-yl)pyrazole-4-sulfonamide
CID 106002630
2-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]-N-ethylethanamine
CID 79186912
1-[2-(propylamino)ethyl]-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 106069903
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 133124038
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide (CID 106076162) is N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is CCCNCCn1cc(S(=O)(=O)NC2CCOC2C)cn1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is IWZZZABHFHORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-3-5-14-6-7-17-10-12(9-15-17)21(18,19)16-13-4-8-20-11(13)2/h9-11,13-14,16H,3-8H2,1-2H3.
What are the key properties of N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide?
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106076162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).