1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride

C18H36ClNO2S — CID 70617638

IUPAC1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride
SMILESC=CCCCCCCCC(C)SCC(O)CC1CNCCO1.Cl
InChIInChI=1S/C18H35NO2S.ClH/c1-3-4-5-6-7-8-9-10-16(2)22-15-17(20)13-18-14-19-11-12-21-18;/h3,16-20H,1,4-15H2,2H3;1H
InChIKeyKDKPKTGNBFMPAI-UHFFFAOYSA-N
MW366.01 g/mol
LogP4.19
Rot. Bonds13

About 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride

1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride (PubChem CID 70617638) has the molecular formula C18H36ClNO2S and a molecular weight of 366.01 g/mol. Its IUPAC name is 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride
PubChem CID70617638
Molecular FormulaC18H36ClNO2S
Molecular Weight366.01 g/mol
Exact Mass365.22
IUPAC Name1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride
SMILESC=CCCCCCCCC(C)SCC(O)CC1CNCCO1.Cl
InChIInChI=1S/C18H35NO2S.ClH/c1-3-4-5-6-7-8-9-10-16(2)22-15-17(20)13-18-14-19-11-12-21-18;/h3,16-20H,1,4-15H2,2H3;1H
InChIKeyKDKPKTGNBFMPAI-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride (CID 70617638) is 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride is C=CCCCCCCCC(C)SCC(O)CC1CNCCO1.Cl.
What is the InChIKey of 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride?
The InChIKey is KDKPKTGNBFMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2S.ClH/c1-3-4-5-6-7-8-9-10-16(2)22-15-17(20)13-18-14-19-11-12-21-18;/h3,16-20H,1,4-15H2,2H3;1H.
What are the key properties of 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride?
1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride has a molecular weight of 366.01 g/mol, XLogP of 4.19, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-yl-3-undec-10-en-2-ylsulfanylpropan-2-ol;hydrochloride is sourced from PubChem (CID 70617638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).