5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

C9H12N4O3S2 — CID 114134426

IUPAC5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C9H12N4O3S2/c1-13-6-10-12-9(13)3-11-18(15,16)8-2-7(4-14)17-5-8/h2,5-6,11,14H,3-4H2,1H3
InChIKeyILUXHTRQJHECBC-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.15
Rot. Bonds5

About 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 114134426) has the molecular formula C9H12N4O3S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID114134426
Molecular FormulaC9H12N4O3S2
Molecular Weight288.35 g/mol
Exact Mass288.04
IUPAC Name5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C9H12N4O3S2/c1-13-6-10-12-9(13)3-11-18(15,16)8-2-7(4-14)17-5-8/h2,5-6,11,14H,3-4H2,1H3
InChIKeyILUXHTRQJHECBC-UHFFFAOYSA-N
XLogP-0.15
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61127965
4-(methylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
4-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 62104166
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61047274
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422086
5-(hydroxymethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 114135368
4-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 61047273
2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
CID 55037929
3-amino-5-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 116791657

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (CID 114134426) is 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1csc(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is ILUXHTRQJHECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S2/c1-13-6-10-12-9(13)3-11-18(15,16)8-2-7(4-14)17-5-8/h2,5-6,11,14H,3-4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 288.35 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 114134426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).