1-methyl-4-methylsulfanylpiperidin-4-ol

C7H15NOS — CID 90912553

IUPAC1-methyl-4-methylsulfanylpiperidin-4-ol
SMILESCSC1(O)CCN(C)CC1
InChIInChI=1S/C7H15NOS/c1-8-5-3-7(9,10-2)4-6-8/h9H,3-6H2,1-2H3
InChIKeyFPTFLFURGHXVAH-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.76
Rot. Bonds1

About 1-methyl-4-methylsulfanylpiperidin-4-ol

1-methyl-4-methylsulfanylpiperidin-4-ol (PubChem CID 90912553) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-methylsulfanylpiperidin-4-ol
PubChem CID90912553
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-methyl-4-methylsulfanylpiperidin-4-ol
SMILESCSC1(O)CCN(C)CC1
InChIInChI=1S/C7H15NOS/c1-8-5-3-7(9,10-2)4-6-8/h9H,3-6H2,1-2H3
InChIKeyFPTFLFURGHXVAH-UHFFFAOYSA-N
XLogP0.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-methylsulfanylpiperidin-4-ol
CID 154967882
Ethane;1-ethyl-4-methylsulfanylpiperidin-4-ol
CID 170737557
Ethane;1-ethyl-4-methylsulfanylpiperidin-4-ol
CID 170737861
1-(3-Methylsulfanylpropyl)piperidin-4-ol
CID 115647625
4-Methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol
CID 115695633
1-Methyl-4-(methylsulfanylmethyl)piperidin-4-ol
CID 144700103
1-Ethyl-4-methylsulfanylpiperidin-4-ol
CID 170737558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfanylpiperidin-4-ol?
The IUPAC name of 1-methyl-4-methylsulfanylpiperidin-4-ol (CID 90912553) is 1-methyl-4-methylsulfanylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-4-methylsulfanylpiperidin-4-ol?
The canonical SMILES for 1-methyl-4-methylsulfanylpiperidin-4-ol is CSC1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-methylsulfanylpiperidin-4-ol?
The InChIKey is FPTFLFURGHXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-5-3-7(9,10-2)4-6-8/h9H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfanylpiperidin-4-ol?
1-methyl-4-methylsulfanylpiperidin-4-ol has a molecular weight of 161.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanylpiperidin-4-ol is sourced from PubChem (CID 90912553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).