1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide

C11H20N4O2S3 — CID 106078488

IUPAC1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)NCC2CSCCS2)cn1
InChIInChI=1S/C11H20N4O2S3/c12-2-1-3-15-8-11(7-13-15)20(16,17)14-6-10-9-18-4-5-19-10/h7-8,10,14H,1-6,9,12H2
InChIKeyHSIIMEYMZCQIAR-UHFFFAOYSA-N
MW336.51 g/mol
LogP0.36
Rot. Bonds7

About 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106078488) has the molecular formula C11H20N4O2S3 and a molecular weight of 336.51 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106078488
Molecular FormulaC11H20N4O2S3
Molecular Weight336.51 g/mol
Exact Mass336.07
IUPAC Name1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)NCC2CSCCS2)cn1
InChIInChI=1S/C11H20N4O2S3/c12-2-1-3-15-8-11(7-13-15)20(16,17)14-6-10-9-18-4-5-19-10/h7-8,10,14H,1-6,9,12H2
InChIKeyHSIIMEYMZCQIAR-UHFFFAOYSA-N
XLogP0.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-1-propylpyrrole-3-sulfonamide
CID 106078423
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
4-(1,4-dithian-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 104654759
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 106411125
1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(3-aminopropyl)-N-(2,3-dimethylcyclopentyl)pyrazole-4-sulfonamide
CID 106069166
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide (CID 106078488) is 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide is NCCCn1cc(S(=O)(=O)NCC2CSCCS2)cn1.
What is the InChIKey of 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is HSIIMEYMZCQIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S3/c12-2-1-3-15-8-11(7-13-15)20(16,17)14-6-10-9-18-4-5-19-10/h7-8,10,14H,1-6,9,12H2.
What are the key properties of 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 336.51 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106078488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).