2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide

C10H19N3OS — CID 150708288

IUPAC2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cn(C)cn1
InChIInChI=1S/C10H19N3OS/c1-8(9-6-13(5)7-11-9)12-15(14)10(2,3)4/h6-8,12H,1-5H3
InChIKeyJNIDDDWVQUKTTJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide

2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide (PubChem CID 150708288) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide
PubChem CID150708288
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1cn(C)cn1
InChIInChI=1S/C10H19N3OS/c1-8(9-6-13(5)7-11-9)12-15(14)10(2,3)4/h6-8,12H,1-5H3
InChIKeyJNIDDDWVQUKTTJ-UHFFFAOYSA-N
XLogP1.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide (CID 150708288) is 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1cn(C)cn1.
What is the InChIKey of 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide?
The InChIKey is JNIDDDWVQUKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(9-6-13(5)7-11-9)12-15(14)10(2,3)4/h6-8,12H,1-5H3.
What are the key properties of 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide?
2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide has a molecular weight of 229.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-methylimidazol-4-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 150708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).