2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine

C10H21NO2S — CID 81188308

IUPAC2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
SMILESCC(C)(N)CS(=O)CCC1CCCO1
InChIInChI=1S/C10H21NO2S/c1-10(2,11)8-14(12)7-5-9-4-3-6-13-9/h9H,3-8,11H2,1-2H3
InChIKeyAFVVYVHXZYADLL-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine

2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine (PubChem CID 81188308) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
PubChem CID81188308
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
SMILESCC(C)(N)CS(=O)CCC1CCCO1
InChIInChI=1S/C10H21NO2S/c1-10(2,11)8-14(12)7-5-9-4-3-6-13-9/h9H,3-8,11H2,1-2H3
InChIKeyAFVVYVHXZYADLL-UHFFFAOYSA-N
XLogP1.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethylsulfinyl]propan-1-amine
CID 81186546
2-methyl-3-[2-(oxolan-2-yl)ethylsulfinyl]propanoic acid
CID 65166400
2-methyl-2-[3-(oxolan-2-yl)propylsulfinyl]propanoic acid
CID 81227541
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
4-[2-(oxolan-2-yl)ethylsulfinyl]aniline
CID 65166256
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
3,3-dimethylbutyl 3-(oxolan-2-yl)propanoate
CID 78863605
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
CID 165172615
3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine (CID 81188308) is 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine is CC(C)(N)CS(=O)CCC1CCCO1.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine?
The InChIKey is AFVVYVHXZYADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,11)8-14(12)7-5-9-4-3-6-13-9/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine?
2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine is sourced from PubChem (CID 81188308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).