3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol

C12H25NO2S — CID 66136218

IUPAC3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
SMILESCCCNC1CCOCC1SC(C)CCO
InChIInChI=1S/C12H25NO2S/c1-3-6-13-11-5-8-15-9-12(11)16-10(2)4-7-14/h10-14H,3-9H2,1-2H3
InChIKeyVSEPRQHDIMNKRS-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.65
Rot. Bonds7

About 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol

3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol (PubChem CID 66136218) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
PubChem CID66136218
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
SMILESCCCNC1CCOCC1SC(C)CCO
InChIInChI=1S/C12H25NO2S/c1-3-6-13-11-5-8-15-9-12(11)16-10(2)4-7-14/h10-14H,3-9H2,1-2H3
InChIKeyVSEPRQHDIMNKRS-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol (CID 66136218) is 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol is CCCNC1CCOCC1SC(C)CCO.
What is the InChIKey of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol?
The InChIKey is VSEPRQHDIMNKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-6-13-11-5-8-15-9-12(11)16-10(2)4-7-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol?
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol has a molecular weight of 247.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 66136218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).