N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C13H24N4O3S — CID 106075167

IUPACN-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCOC(C)(C)C2)cn1
InChIInChI=1S/C13H24N4O3S/c1-13(2)8-11(4-7-20-13)16-21(18,19)12-9-15-17(10-12)6-5-14-3/h9-11,14,16H,4-8H2,1-3H3
InChIKeyPWAMGEJYBYVPCN-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.34
Rot. Bonds6

About N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106075167) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106075167
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCNCCn1cc(S(=O)(=O)NC2CCOC(C)(C)C2)cn1
InChIInChI=1S/C13H24N4O3S/c1-13(2)8-11(4-7-20-13)16-21(18,19)12-9-15-17(10-12)6-5-14-3/h9-11,14,16H,4-8H2,1-3H3
InChIKeyPWAMGEJYBYVPCN-UHFFFAOYSA-N
XLogP0.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
1-[2-(methylamino)ethyl]-N-(thiolan-3-yl)pyrazole-4-sulfonamide
CID 114142410
N-(3,3-dimethylcyclopentyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114551690
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
N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 113336491
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908
N-(1,1-dioxothiolan-3-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106059803
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 106075167) is N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CNCCn1cc(S(=O)(=O)NC2CCOC(C)(C)C2)cn1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is PWAMGEJYBYVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-13(2)8-11(4-7-20-13)16-21(18,19)12-9-15-17(10-12)6-5-14-3/h9-11,14,16H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106075167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).