N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide

C11H22N2O2S — CID 138607900

IUPACN-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide
SMILESCSN1CCC(C(=O)N(C)CC(C)O)CC1
InChIInChI=1S/C11H22N2O2S/c1-9(14)8-12(2)11(15)10-4-6-13(16-3)7-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyQYXJJJSGZGRILP-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.82
Rot. Bonds4

About N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide

N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide (PubChem CID 138607900) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide
PubChem CID138607900
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide
SMILESCSN1CCC(C(=O)N(C)CC(C)O)CC1
InChIInChI=1S/C11H22N2O2S/c1-9(14)8-12(2)11(15)10-4-6-13(16-3)7-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyQYXJJJSGZGRILP-UHFFFAOYSA-N
XLogP0.82
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide (CID 138607900) is N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide is CSN1CCC(C(=O)N(C)CC(C)O)CC1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide?
The InChIKey is QYXJJJSGZGRILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(14)8-12(2)11(15)10-4-6-13(16-3)7-5-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide?
N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-1-methylsulfanylpiperidine-4-carboxamide is sourced from PubChem (CID 138607900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).