N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide

C8H16N4O2S — CID 64517066

IUPACN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12(4)5-7-9-6-10-11-7/h6H,5H2,1-4H3,(H,9,10,11)
InChIKeyYNQYLGKPWYNXSN-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.36
Rot. Bonds3

About N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide

N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide (PubChem CID 64517066) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
PubChem CID64517066
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC NameN,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12(4)5-7-9-6-10-11-7/h6H,5H2,1-4H3,(H,9,10,11)
InChIKeyYNQYLGKPWYNXSN-UHFFFAOYSA-N
XLogP0.36
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 107652046
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 64512890
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517173
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-fluoro-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 99801961
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 79594828
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
CID 64518227
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64511818
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
CID 64516785

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide (CID 64517066) is N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide?
The InChIKey is YNQYLGKPWYNXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-8(2,3)15(13,14)12(4)5-7-9-6-10-11-7/h6H,5H2,1-4H3,(H,9,10,11).
What are the key properties of N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide?
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 64517066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).