N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide

C10H19N3OS — CID 170938200

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCc1ncc(CNS(=O)C(C)(C)C)n1C
InChIInChI=1S/C10H19N3OS/c1-8-11-6-9(13(8)5)7-12-15(14)10(2,3)4/h6,12H,7H2,1-5H3
InChIKeyOOVRMVUUDVHJDK-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.28
Rot. Bonds3

About N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide

N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 170938200) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID170938200
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCc1ncc(CNS(=O)C(C)(C)C)n1C
InChIInChI=1S/C10H19N3OS/c1-8-11-6-9(13(8)5)7-12-15(14)10(2,3)4/h6,12H,7H2,1-5H3
InChIKeyOOVRMVUUDVHJDK-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide (CID 170938200) is N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide is Cc1ncc(CNS(=O)C(C)(C)C)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is OOVRMVUUDVHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8-11-6-9(13(8)5)7-12-15(14)10(2,3)4/h6,12H,7H2,1-5H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide?
N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 229.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170938200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).