3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine

C8H17NO2S — CID 58684813

IUPAC3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
SMILESCC1OCCC1S(=O)CCCN
InChIInChI=1S/C8H17NO2S/c1-7-8(3-5-11-7)12(10)6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyPBDKFQCHNTYPPF-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.26
Rot. Bonds4

About 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine

3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine (PubChem CID 58684813) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
PubChem CID58684813
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
SMILESCC1OCCC1S(=O)CCCN
InChIInChI=1S/C8H17NO2S/c1-7-8(3-5-11-7)12(10)6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyPBDKFQCHNTYPPF-UHFFFAOYSA-N
XLogP0.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758428
N-[2-(2-methyloxolan-3-yl)sulfinylethyl]cyclopropanamine
CID 107758266
2-methyl-N-[2-(2-methyloxolan-3-yl)sulfinylethyl]propan-2-amine
CID 107758417
2-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753497
3-[3-(2-methyloxolan-3-yl)sulfinylpropoxy]aniline
CID 107753471
3,3-dimethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-one
CID 107764349
2,2-dimethyl-3-(2-methyloxolan-3-yl)sulfinylpropanoic acid
CID 107753126
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074
3-fluoro-2-[(2-methyloxolan-3-yl)sulfinylmethyl]aniline
CID 107753520
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758395
3-(oxan-3-ylsulfinyl)propan-1-amine
CID 107138204
2-bromo-5-[(2-methyloxolan-3-yl)sulfinylmethyl]aniline
CID 107753508

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine (CID 58684813) is 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine is CC1OCCC1S(=O)CCCN.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine?
The InChIKey is PBDKFQCHNTYPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7-8(3-5-11-7)12(10)6-2-4-9/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine?
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine is sourced from PubChem (CID 58684813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).