2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C11H20N2O2S2 — CID 116633699

IUPAC2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(c1nc(CNC(C)(C)C)cs1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S2/c1-8(17(5,14)15)10-13-9(7-16-10)6-12-11(2,3)4/h7-8,12H,6H2,1-5H3
InChIKeyKYFBIYVPRJDNMP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 116633699) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID116633699
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(c1nc(CNC(C)(C)C)cs1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S2/c1-8(17(5,14)15)10-13-9(7-16-10)6-12-11(2,3)4/h7-8,12H,6H2,1-5H3
InChIKeyKYFBIYVPRJDNMP-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 115665483
2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116633333
4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
CID 116633705
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116633715
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]butan-2-amine
CID 116633709
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115589690
N-[(1S)-1-[4-(methylaminomethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 91664550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 116633699) is 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(c1nc(CNC(C)(C)C)cs1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is KYFBIYVPRJDNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8(17(5,14)15)10-13-9(7-16-10)6-12-11(2,3)4/h7-8,12H,6H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116633699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).