4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol

C10H23NO2S — CID 64805506

IUPAC4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCSCCCOC
InChIInChI=1S/C10H23NO2S/c1-10(9-12,11-2)5-8-14-7-4-6-13-3/h11-12H,4-9H2,1-3H3
InChIKeyCRYPPEOPVGFGGN-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.12
Rot. Bonds9

About 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol

4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64805506) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64805506
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCSCCCOC
InChIInChI=1S/C10H23NO2S/c1-10(9-12,11-2)5-8-14-7-4-6-13-3/h11-12H,4-9H2,1-3H3
InChIKeyCRYPPEOPVGFGGN-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 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 ≤ 51.12
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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Related Compounds

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CID 61049116
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CID 61049593
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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol (CID 64805506) is 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCSCCCOC.
What is the InChIKey of 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is CRYPPEOPVGFGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(9-12,11-2)5-8-14-7-4-6-13-3/h11-12H,4-9H2,1-3H3.
What are the key properties of 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol?
4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 221.37 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 4-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64805506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).