2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol

C11H23NO2S — CID 64807175

IUPAC2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSCCCOC)C1CC1
InChIInChI=1S/C11H23NO2S/c1-12-11(8-13,10-4-5-10)9-15-7-3-6-14-2/h10,12-13H,3-9H2,1-2H3
InChIKeyXSVNPBHTZNZDBM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.12
Rot. Bonds9

About 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol (PubChem CID 64807175) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
PubChem CID64807175
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CSCCCOC)C1CC1
InChIInChI=1S/C11H23NO2S/c1-12-11(8-13,10-4-5-10)9-15-7-3-6-14-2/h10,12-13H,3-9H2,1-2H3
InChIKeyXSVNPBHTZNZDBM-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol (CID 64807175) is 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol is CNC(CO)(CSCCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol?
The InChIKey is XSVNPBHTZNZDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-12-11(8-13,10-4-5-10)9-15-7-3-6-14-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol has a molecular weight of 233.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).