ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine

C14H31NO2S — CID 164922697

IUPACethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC.COCC12CCCN1CC(S(C)=O)C2
InChIInChI=1S/C10H19NO2S.2C2H6/c1-13-8-10-4-3-5-11(10)7-9(6-10)14(2)12;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyPHNKUWOMVIDODP-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.67
Rot. Bonds3

About ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine

ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 164922697) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Nameethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID164922697
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Nameethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC.CC.COCC12CCCN1CC(S(C)=O)C2
InChIInChI=1S/C10H19NO2S.2C2H6/c1-13-8-10-4-3-5-11(10)7-9(6-10)14(2)12;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3
InChIKeyPHNKUWOMVIDODP-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
4-[2-[[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]ethyl]morpholine
CID 170411836
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
CID 168881236
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327

Frequently Asked Questions

What is the IUPAC name of ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 164922697) is ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine is CC.CC.COCC12CCCN1CC(S(C)=O)C2.
What is the InChIKey of ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is PHNKUWOMVIDODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S.2C2H6/c1-13-8-10-4-3-5-11(10)7-9(6-10)14(2)12;2*1-2/h9H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine?
ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 277.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methoxymethyl)-2-methylsulfinyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 164922697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).