N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide

C10H17N3O3S — CID 64517077

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H17N3O3S/c1-13(8-10-11-4-5-12-10)17(14,15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,11,12)
InChIKeyFZABZYWMSXPRPB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.35
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide (PubChem CID 64517077) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide
PubChem CID64517077
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H17N3O3S/c1-13(8-10-11-4-5-12-10)17(14,15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,11,12)
InChIKeyFZABZYWMSXPRPB-UHFFFAOYSA-N
XLogP0.35
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide (CID 64517077) is N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide?
The InChIKey is FZABZYWMSXPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13(8-10-11-4-5-12-10)17(14,15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,11,12).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 64517077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).