N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

C8H13N3O2S2 — CID 107297786

IUPACN-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccn[nH]1
InChIInChI=1S/C8H13N3O2S2/c12-15(13,8-1-3-9-11-8)10-5-7-2-4-14-6-7/h1,3,7,10H,2,4-6H2,(H,9,11)
InChIKeyGFAUGRNKNJMWJI-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.44
Rot. Bonds4

About N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 107297786) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID107297786
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC NameN-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccn[nH]1
InChIInChI=1S/C8H13N3O2S2/c12-15(13,8-1-3-9-11-8)10-5-7-2-4-14-6-7/h1,3,7,10H,2,4-6H2,(H,9,11)
InChIKeyGFAUGRNKNJMWJI-UHFFFAOYSA-N
XLogP0.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692871
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 107297786) is N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1CCSC1)c1ccn[nH]1.
What is the InChIKey of N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GFAUGRNKNJMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c12-15(13,8-1-3-9-11-8)10-5-7-2-4-14-6-7/h1,3,7,10H,2,4-6H2,(H,9,11).
What are the key properties of N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107297786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).