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

C11H20N2O2S2 — CID 115901209

IUPAC1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2O2S2/c1-5-17(14,15)7-8(2)13-10(4)11-12-6-9(3)16-11/h6,8,10,13H,5,7H2,1-4H3
InChIKeyUMPLQULWDKORLL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.93
Rot. Bonds6

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

1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 115901209) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID115901209
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H20N2O2S2/c1-5-17(14,15)7-8(2)13-10(4)11-12-6-9(3)16-11/h6,8,10,13H,5,7H2,1-4H3
InChIKeyUMPLQULWDKORLL-UHFFFAOYSA-N
XLogP1.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726880
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726973
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 112696947
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 115901209) is 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is CCS(=O)(=O)CC(C)NC(C)c1ncc(C)s1.
What is the InChIKey of 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is UMPLQULWDKORLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-5-17(14,15)7-8(2)13-10(4)11-12-6-9(3)16-11/h6,8,10,13H,5,7H2,1-4H3.
What are the key properties of 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115901209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).