1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol

C9H21NO2S — CID 66225458

IUPAC1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSCC(C)CN
InChIInChI=1S/C9H21NO2S/c1-3-12-5-9(11)7-13-6-8(2)4-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyHKBZTPYHXZAWNH-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.71
Rot. Bonds8

About 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol

1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol (PubChem CID 66225458) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
PubChem CID66225458
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
SMILESCCOCC(O)CSCC(C)CN
InChIInChI=1S/C9H21NO2S/c1-3-12-5-9(11)7-13-6-8(2)4-10/h8-9,11H,3-7,10H2,1-2H3
InChIKeyHKBZTPYHXZAWNH-UHFFFAOYSA-N
XLogP0.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-(2-methylbutylsulfanyl)propan-2-ol
CID 107751832
1-ethoxy-3-propylsulfanylpropan-2-ol
CID 63932362
1-(2-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol
CID 66223596
3-ethoxy-2-methylpropan-1-amine
CID 43175050
1-ethoxy-3-propan-2-ylsulfanylpropan-2-ol
CID 63932975
1-amino-3-(3-ethoxy-2-hydroxypropoxy)propan-2-ol
CID 58703853
2-methyl-3-(2-methylpropylsulfanyl)propan-1-amine
CID 43529814
1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
CID 107263348
(3-ethoxy-2-hydroxypropyl) N'-aminocarbamimidothioate
CID 77061141
3-[2-(2-aminoethoxy)ethylsulfanyl]-2-methylpropan-1-amine
CID 103482719
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
1-ethoxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966276

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol?
The IUPAC name of 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol (CID 66225458) is 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol is CCOCC(O)CSCC(C)CN.
What is the InChIKey of 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol?
The InChIKey is HKBZTPYHXZAWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-3-12-5-9(11)7-13-6-8(2)4-10/h8-9,11H,3-7,10H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol?
1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol has a molecular weight of 207.34 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)sulfanyl-3-ethoxypropan-2-ol is sourced from PubChem (CID 66225458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).