2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine

C11H23NO3S2 — CID 63659784

IUPAC2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)SCCS(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-10(16-6-7-17(2,13)14)8-12-9-11-4-3-5-15-11/h10-12H,3-9H2,1-2H3
InChIKeyZSIZDUJEYIOPAH-UHFFFAOYSA-N
MW281.44 g/mol
LogP0.92
Rot. Bonds8

About 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 63659784) has the molecular formula C11H23NO3S2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID63659784
Molecular FormulaC11H23NO3S2
Molecular Weight281.44 g/mol
Exact Mass281.11
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCO1)SCCS(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-10(16-6-7-17(2,13)14)8-12-9-11-4-3-5-15-11/h10-12H,3-9H2,1-2H3
InChIKeyZSIZDUJEYIOPAH-UHFFFAOYSA-N
XLogP0.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
2-butan-2-ylsulfonyl-N-(oxolan-2-ylmethyl)ethanamine
CID 106512734
2-(3-methylbutan-2-ylsulfanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107757225
2-[(3-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62764881
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 64630980
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 63659784) is 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine is CC(CNCC1CCCO1)SCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is ZSIZDUJEYIOPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S2/c1-10(16-6-7-17(2,13)14)8-12-9-11-4-3-5-15-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63659784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).