3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol

C12H25NO2S — CID 107772654

IUPAC3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol
SMILESCCCNC1CCOCC1SC(C)C(C)O
InChIInChI=1S/C12H25NO2S/c1-4-6-13-11-5-7-15-8-12(11)16-10(3)9(2)14/h9-14H,4-8H2,1-3H3
InChIKeyBWUQBLAZVMXERD-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.65
Rot. Bonds6

About 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol

3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol (PubChem CID 107772654) 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-2-ol.

Molecular Properties

Compound Name3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol
PubChem CID107772654
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol
SMILESCCCNC1CCOCC1SC(C)C(C)O
InChIInChI=1S/C12H25NO2S/c1-4-6-13-11-5-7-15-8-12(11)16-10(3)9(2)14/h9-14H,4-8H2,1-3H3
InChIKeyBWUQBLAZVMXERD-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

3-[4-(propylamino)oxan-3-yl]sulfanylbutan-1-ol
CID 66136218
N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
N-ethyl-3-(2-methylpropylsulfanyl)oxan-4-amine
CID 64612141
3-[[8-(ethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]sulfanyl]butan-2-ol
CID 107772699
3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
CID 64649376
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
3-hexyl-N-propyloxan-4-amine
CID 106469429
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
CID 82735228
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
3-(3,4-dimethylcyclohexyl)oxy-N-propyloxan-4-amine
CID 64744544

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol (CID 107772654) is 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol is CCCNC1CCOCC1SC(C)C(C)O.
What is the InChIKey of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol?
The InChIKey is BWUQBLAZVMXERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-6-13-11-5-7-15-8-12(11)16-10(3)9(2)14/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol?
3-[4-(propylamino)oxan-3-yl]sulfanylbutan-2-ol has a molecular weight of 247.40 g/mol, XLogP of 1.65, 6 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-2-ol is sourced from PubChem (CID 107772654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).