3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide

C10H17N3O3S2 — CID 114135603

IUPAC3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C10H17N3O3S2/c1-7-10(9(6-14)12-11-7)18(15,16)13-8-2-4-17-5-3-8/h8,13-14H,2-6H2,1H3,(H,11,12)
InChIKeyVFCSMXPVXRSXFY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.38
Rot. Bonds4

About 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide

3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 114135603) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID114135603
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C10H17N3O3S2/c1-7-10(9(6-14)12-11-7)18(15,16)13-8-2-4-17-5-3-8/h8,13-14H,2-6H2,1H3,(H,11,12)
InChIKeyVFCSMXPVXRSXFY-UHFFFAOYSA-N
XLogP0.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-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

3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237040
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
3,5-dimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 72716268
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
5-methyl-3-(methylaminomethyl)-N-(oxan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106065204
5-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]-1H-pyrazole-4-sulfonamide
CID 106072521
N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114133349
3-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 102701655
5-methyl-3-(propylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106089228
2,5-dimethyl-4-(methylaminomethyl)-N-(thian-4-yl)furan-3-sulfonamide
CID 106084440

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide (CID 114135603) is 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CO)c1S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VFCSMXPVXRSXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-7-10(9(6-14)12-11-7)18(15,16)13-8-2-4-17-5-3-8/h8,13-14H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide?
3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-N-(thian-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114135603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).