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

C10H18N2O2S2 — CID 79557977

IUPAC2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-8(9-11-5-6-15-9)12-7-10(2,3)16(4,13)14/h5-6,8,12H,7H2,1-4H3
InChIKeyYTNJLYFQNFOTAY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.62
Rot. Bonds5

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

2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 79557977) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID79557977
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)(C)S(C)(=O)=O)c1nccs1
InChIInChI=1S/C10H18N2O2S2/c1-8(9-11-5-6-15-9)12-7-10(2,3)16(4,13)14/h5-6,8,12H,7H2,1-4H3
InChIKeyYTNJLYFQNFOTAY-UHFFFAOYSA-N
XLogP1.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole
CID 112689953
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63600035
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]prop-2-enoic acid
CID 103253582
2,4,4-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 64993737
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 79557977) is 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is CC(NCC(C)(C)S(C)(=O)=O)c1nccs1.
What is the InChIKey of 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is YTNJLYFQNFOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-8(9-11-5-6-15-9)12-7-10(2,3)16(4,13)14/h5-6,8,12H,7H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
2-methyl-2-methylsulfonyl-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 1.62, 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-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79557977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).