2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide

C8H14N2OS2 — CID 155213884

IUPAC2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cscn1
InChIInChI=1S/C8H14N2OS2/c1-8(2,3)13(11)10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3
InChIKeyRNCYDQXCTNIEMH-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide

2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide (PubChem CID 155213884) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
PubChem CID155213884
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cscn1
InChIInChI=1S/C8H14N2OS2/c1-8(2,3)13(11)10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3
InChIKeyRNCYDQXCTNIEMH-UHFFFAOYSA-N
XLogP1.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 103700191
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 81412166
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
2,2,3-trimethyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 65265568
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide (CID 155213884) is 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide is CC(C)(C)S(=O)NCc1cscn1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide?
The InChIKey is RNCYDQXCTNIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-8(2,3)13(11)10-4-7-5-12-6-9-7/h5-6,10H,4H2,1-3H3.
What are the key properties of 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide?
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide has a molecular weight of 218.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide is sourced from PubChem (CID 155213884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).