N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide

C12H22N2OS2 — CID 163278886

IUPACN-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide
SMILESCCN(C(C)c1cnc(C)s1)S(=O)C(C)(C)C
InChIInChI=1S/C12H22N2OS2/c1-7-14(17(15)12(4,5)6)9(2)11-8-13-10(3)16-11/h8-9H,7H2,1-6H3
InChIKeyMDWHOQRVXYKAMJ-UHFFFAOYSA-N
MW274.46 g/mol
LogP3.30
Rot. Bonds4

About N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide

N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 163278886) has the molecular formula C12H22N2OS2 and a molecular weight of 274.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide
PubChem CID163278886
Molecular FormulaC12H22N2OS2
Molecular Weight274.46 g/mol
Exact Mass274.12
IUPAC NameN-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide
SMILESCCN(C(C)c1cnc(C)s1)S(=O)C(C)(C)C
InChIInChI=1S/C12H22N2OS2/c1-7-14(17(15)12(4,5)6)9(2)11-8-13-10(3)16-11/h8-9H,7H2,1-6H3
InChIKeyMDWHOQRVXYKAMJ-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide (CID 163278886) is N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide is CCN(C(C)c1cnc(C)s1)S(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is MDWHOQRVXYKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-7-14(17(15)12(4,5)6)9(2)11-8-13-10(3)16-11/h8-9H,7H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide?
N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide has a molecular weight of 274.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 163278886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).