1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide

C10H18N4O4S — CID 106016589

IUPAC1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC2COCCO2)cn1
InChIInChI=1S/C10H18N4O4S/c11-1-2-14-7-10(6-12-14)19(15,16)13-5-9-8-17-3-4-18-9/h6-7,9,13H,1-5,8,11H2
InChIKeyVYNJHEJUCYRFFM-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.46
Rot. Bonds6

About 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106016589) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106016589
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)NCC2COCCO2)cn1
InChIInChI=1S/C10H18N4O4S/c11-1-2-14-7-10(6-12-14)19(15,16)13-5-9-8-17-3-4-18-9/h6-7,9,13H,1-5,8,11H2
InChIKeyVYNJHEJUCYRFFM-UHFFFAOYSA-N
XLogP-1.46
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
3-amino-N-(1,4-dioxan-2-ylmethyl)-1-methylpyrazole-4-sulfonamide
CID 54908346
N-(1,4-dioxan-2-ylmethyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106016710
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423982
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
3-amino-N-(1,4-dioxan-2-ylmethyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791579
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide (CID 106016589) is 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)NCC2COCCO2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is VYNJHEJUCYRFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c11-1-2-14-7-10(6-12-14)19(15,16)13-5-9-8-17-3-4-18-9/h6-7,9,13H,1-5,8,11H2.
What are the key properties of 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of -1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106016589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).