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

C9H15N3O3S — CID 64529726

IUPACN-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)C1CCOCC1
InChIInChI=1S/C9H15N3O3S/c13-16(14,8-1-5-15-6-2-8)12-7-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11)
InChIKeyPYAMFILHHSEYHD-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.01
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide (PubChem CID 64529726) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide
PubChem CID64529726
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)C1CCOCC1
InChIInChI=1S/C9H15N3O3S/c13-16(14,8-1-5-15-6-2-8)12-7-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11)
InChIKeyPYAMFILHHSEYHD-UHFFFAOYSA-N
XLogP0.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide (CID 64529726) is N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide is O=S(=O)(NCc1ncc[nH]1)C1CCOCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide?
The InChIKey is PYAMFILHHSEYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-16(14,8-1-5-15-6-2-8)12-7-9-10-3-4-11-9/h3-4,8,12H,1-2,5-7H2,(H,10,11).
What are the key properties of N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide?
N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)oxane-4-sulfonamide is sourced from PubChem (CID 64529726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).