N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide

C10H19N3O3S — CID 131937458

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide
SMILESCOCCn1cncc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O3S/c1-9(2)17(14,15)12-7-10-6-11-8-13(10)4-5-16-3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyPJBHAEXAEWHHPC-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.36
Rot. Bonds7

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide (PubChem CID 131937458) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide
PubChem CID131937458
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide
SMILESCOCCn1cncc1CNS(=O)(=O)C(C)C
InChIInChI=1S/C10H19N3O3S/c1-9(2)17(14,15)12-7-10-6-11-8-13(10)4-5-16-3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyPJBHAEXAEWHHPC-UHFFFAOYSA-N
XLogP0.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide (CID 131937458) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide is COCCn1cncc1CNS(=O)(=O)C(C)C.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide?
The InChIKey is PJBHAEXAEWHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-9(2)17(14,15)12-7-10-6-11-8-13(10)4-5-16-3/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 131937458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).