N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

C9H18N4O3S — CID 79594828

IUPACN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H18N4O3S/c1-8(2)16-4-5-17(14,15)13(3)6-9-10-7-11-12-9/h7-8H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyMYQHSYSRGOATJJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.01
Rot. Bonds7

About N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide

N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (PubChem CID 79594828) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
PubChem CID79594828
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC NameN-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H18N4O3S/c1-8(2)16-4-5-17(14,15)13(3)6-9-10-7-11-12-9/h7-8H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyMYQHSYSRGOATJJ-UHFFFAOYSA-N
XLogP-0.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-2-piperazin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide
CID 64518286
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
N-methyl-4-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519189
4-butan-2-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519000
N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64518418
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
CID 64517457
N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593838
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
CID 79593859

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The IUPAC name of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide (CID 79594828) is N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is CC(C)OCCS(=O)(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
The InChIKey is MYQHSYSRGOATJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-8(2)16-4-5-17(14,15)13(3)6-9-10-7-11-12-9/h7-8H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide?
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 79594828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).