1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol

C10H23NO2S — CID 107263348

IUPAC1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CSCC(C)N
InChIInChI=1S/C10H23NO2S/c1-3-4-5-13-6-10(12)8-14-7-9(2)11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyXJLGNWSJRHXADF-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.24
Rot. Bonds9

About 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol

1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol (PubChem CID 107263348) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
PubChem CID107263348
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CSCC(C)N
InChIInChI=1S/C10H23NO2S/c1-3-4-5-13-6-10(12)8-14-7-9(2)11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyXJLGNWSJRHXADF-UHFFFAOYSA-N
XLogP1.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-decoxy-3-(3-decoxy-2-hydroxypropyl)sulfanylpropan-2-ol
CID 22141570
1-butoxy-3-pentylsulfanylpropan-2-ol
CID 107266532
N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide
CID 90754488
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118
1-octoxy-3-octylsulfanylpropan-2-ol
CID 21423987
1-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propan-2-amine
CID 113427112
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-(2-hydroxyethylsulfanyl)-3-octadecoxypropan-2-ol
CID 19901104
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(3-butoxy-2-hydroxypropyl) thiocyanate
CID 15457589

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol?
The IUPAC name of 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol (CID 107263348) is 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol.
What is the SMILES notation for 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol?
The canonical SMILES for 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol is CCCCOCC(O)CSCC(C)N.
What is the InChIKey of 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol?
The InChIKey is XJLGNWSJRHXADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-4-5-13-6-10(12)8-14-7-9(2)11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol?
1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol has a molecular weight of 221.37 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol is sourced from PubChem (CID 107263348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).