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

C9H19NO2S — CID 103143166

IUPAC1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CC1CCC(C)O1
InChIInChI=1S/C9H19NO2S/c1-7(10)5-13(11)6-9-4-3-8(2)12-9/h7-9H,3-6,10H2,1-2H3
InChIKeySLPBFLAKMDZRJN-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds4

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

1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine (PubChem CID 103143166) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine
PubChem CID103143166
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CC1CCC(C)O1
InChIInChI=1S/C9H19NO2S/c1-7(10)5-13(11)6-9-4-3-8(2)12-9/h7-9H,3-6,10H2,1-2H3
InChIKeySLPBFLAKMDZRJN-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-methyloxolan-2-yl)methylsulfinyl]butan-1-amine
CID 103143176
3-methyl-4-(5-methyloxolan-2-yl)butan-2-amine
CID 103131770
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
trimethyl-[(5-methyloxolan-2-yl)methyl]azanium bromide
CID 23273617
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
1-cyclopentylsulfinylpropan-2-amine
CID 64655238
3-chloro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]butan-2-amine
CID 103140019
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
1-cycloheptylsulfinylpropan-2-amine
CID 82934442
2-methylpropylsulfinylmethylcyclopropane
CID 21018607

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine (CID 103143166) is 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine is CC(N)CS(=O)CC1CCC(C)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine?
The InChIKey is SLPBFLAKMDZRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(10)5-13(11)6-9-4-3-8(2)12-9/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine?
1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methylsulfinyl]propan-2-amine is sourced from PubChem (CID 103143166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).