3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine

C10H21NO2S — CID 103143176

IUPAC3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine
SMILESCC1CCC(CS(=O)C(C)CCN)O1
InChIInChI=1S/C10H21NO2S/c1-8-3-4-10(13-8)7-14(12)9(2)5-6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyWWOGQFXSIQWSTN-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.04
Rot. Bonds5

About 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine

3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine (PubChem CID 103143176) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine
PubChem CID103143176
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine
SMILESCC1CCC(CS(=O)C(C)CCN)O1
InChIInChI=1S/C10H21NO2S/c1-8-3-4-10(13-8)7-14(12)9(2)5-6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyWWOGQFXSIQWSTN-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

1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine
CID 103143166
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)butan-1-amine
CID 102903017
3-(cyclohexylmethylsulfinyl)butan-1-amine
CID 81195369
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
CID 103131770
5-(propan-2-ylsulfinylmethyl)oxolane-2-carboxylic acid
CID 62301023
2-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propan-1-amine
CID 102902989
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
3,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138980
2-[5-(5-methyloxolan-2-yl)oxolan-2-yl]ethanamine
CID 130585766
trimethyl-[(5-methyloxolan-2-yl)methyl]azanium bromide
CID 23273617
2-[(4-ethylmorpholin-2-yl)methylsulfinyl]propan-1-amine
CID 81187355

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine (CID 103143176) is 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine is CC1CCC(CS(=O)C(C)CCN)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine?
The InChIKey is WWOGQFXSIQWSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8-3-4-10(13-8)7-14(12)9(2)5-6-11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine?
3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-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 3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine is sourced from PubChem (CID 103143176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).