N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

C9H16N4O3S — CID 64518418

IUPACN-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N4O3S/c1-13(5-9-10-7-11-12-9)17(14,15)6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyZETFRRMVPCGFOM-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.25
Rot. Bonds5

About N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide

N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (PubChem CID 64518418) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
PubChem CID64518418
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H16N4O3S/c1-13(5-9-10-7-11-12-9)17(14,15)6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyZETFRRMVPCGFOM-UHFFFAOYSA-N
XLogP-0.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
CID 64518227
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
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
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
1-methyl-1-(oxan-2-ylmethyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 121499289
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 106441751
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
N-methyl-2-morpholin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 66428762
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 79594828

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide (CID 64518418) is N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is CN(Cc1ncn[nH]1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
The InChIKey is ZETFRRMVPCGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-13(5-9-10-7-11-12-9)17(14,15)6-8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide?
N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide is sourced from PubChem (CID 64518418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).