2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C11H20N2O2S2 — CID 79558911

IUPAC2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S2/c1-8(10-9(2)13-7-16-10)12-6-11(3,4)17(5,14)15/h7-8,12H,6H2,1-5H3
InChIKeyCWCGTHZXUXWPCN-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.93
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine

2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 79558911) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID79558911
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCc1ncsc1C(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H20N2O2S2/c1-8(10-9(2)13-7-16-10)12-6-11(3,4)17(5,14)15/h7-8,12H,6H2,1-5H3
InChIKeyCWCGTHZXUXWPCN-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
4-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]benzenesulfonamide
CID 43760215
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
tert-butyl N-methyl-N-[2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 103783110
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 79558911) is 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is Cc1ncsc1C(C)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is CWCGTHZXUXWPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-8(10-9(2)13-7-16-10)12-6-11(3,4)17(5,14)15/h7-8,12H,6H2,1-5H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79558911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).