N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide

C7H14N4O2S — CID 47371821

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-6(2)14(12,13)9-4-7-10-8-5-11(7)3/h5-6,9H,4H2,1-3H3
InChIKeyDOBYVIGHGQIOCQ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.36
Rot. Bonds4

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide (PubChem CID 47371821) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide
PubChem CID47371821
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1nncn1C
InChIInChI=1S/C7H14N4O2S/c1-6(2)14(12,13)9-4-7-10-8-5-11(7)3/h5-6,9H,4H2,1-3H3
InChIKeyDOBYVIGHGQIOCQ-UHFFFAOYSA-N
XLogP-0.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylpentane-1-sulfonamide
CID 75484912
N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]propane-1-sulfonamide
CID 129617380
2,3,3-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butane-1-sulfonamide
CID 136557765
N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 164639266
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 164639361
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059989
N-[[4-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 167785768
Lithium 3-(3-ethyl-1,2,4-triazol-4-yl)propane-1-sulfonate
CID 58862720
3-(3-Ethyl-1,2,4-triazol-4-yl)propane-1-sulfonic acid
CID 58862721
Sodium 3-(3-ethyl-1,2,4-triazol-4-yl)propane-1-sulfonate
CID 59296863
N-[2-(1,2,4-triazol-1-yl)ethyl]propane-2-sulfonamide
CID 132267399
(1-Methyl-1,2,4-triazol-3-yl)methanesulfonamide
CID 155678790

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide (CID 47371821) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1nncn1C.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide?
The InChIKey is DOBYVIGHGQIOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(2)14(12,13)9-4-7-10-8-5-11(7)3/h5-6,9H,4H2,1-3H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 47371821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).