4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine

C9H19NO2S — CID 107758428

IUPAC4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)C1CCOC1C
InChIInChI=1S/C9H19NO2S/c1-7(10)4-6-13(11)9-3-5-12-8(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyIYOAINZTRAIBOP-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds4

About 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine

4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine (PubChem CID 107758428) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
PubChem CID107758428
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
SMILESCC(N)CCS(=O)C1CCOC1C
InChIInChI=1S/C9H19NO2S/c1-7(10)4-6-13(11)9-3-5-12-8(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyIYOAINZTRAIBOP-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-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
CID 107758266
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074
2-methyl-N-[2-(2-methyloxolan-3-yl)sulfinylethyl]propan-2-amine
CID 107758417
2-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753497
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
3-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753471
benzyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753081
2-(2-methyloxolan-3-yl)sulfinyl-1-phenylpropan-1-amine
CID 107758244
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758395
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
1-(2,5-dichlorothiophen-3-yl)-2-(2-methyloxolan-3-yl)sulfinylethanone
CID 107764329

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine (CID 107758428) is 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine is CC(N)CCS(=O)C1CCOC1C.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
The InChIKey is IYOAINZTRAIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(10)4-6-13(11)9-3-5-12-8(9)2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine?
4-(2-methyloxolan-3-yl)sulfinylbutan-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 4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine is sourced from PubChem (CID 107758428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).