N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine

C10H21NO2S — CID 104668632

IUPACN-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCS(=O)CCNCCCC1CCCO1
InChIInChI=1S/C10H21NO2S/c1-14(12)9-7-11-6-2-4-10-5-3-8-13-10/h10-11H,2-9H2,1H3
InChIKeyVSJURSFKTHJHAS-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.91
Rot. Bonds7

About N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine

N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104668632) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104668632
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCS(=O)CCNCCCC1CCCO1
InChIInChI=1S/C10H21NO2S/c1-14(12)9-7-11-6-2-4-10-5-3-8-13-10/h10-11H,2-9H2,1H3
InChIKeyVSJURSFKTHJHAS-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
CID 65163921
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine (CID 104668632) is N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine is CS(=O)CCNCCCC1CCCO1.
What is the InChIKey of N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is VSJURSFKTHJHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14(12)9-7-11-6-2-4-10-5-3-8-13-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine?
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104668632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).