3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide

C11H22N2O2S — CID 111435221

IUPAC3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2S/c1-16-7-3-5-12-11(15)13-6-2-4-10(8-13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyFREQZRYSOANFNP-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.15
Rot. Bonds5

About 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (PubChem CID 111435221) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
PubChem CID111435221
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
SMILESCSCCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H22N2O2S/c1-16-7-3-5-12-11(15)13-6-2-4-10(8-13)9-14/h10,14H,2-9H2,1H3,(H,12,15)
InChIKeyFREQZRYSOANFNP-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4,4-dimethylpentyl)thiomorpholine-4-carboxamide
CID 71978560
N-[2-(2-hydroxyethyl)-4-methylpentyl]thiomorpholine-4-carboxamide
CID 75424350
3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 91641743
(3S)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773485
(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773486
N-ethyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 19261646
3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 43589574
3-(hydroxymethyl)-N-methylpiperidine-1-carboxamide
CID 89332157
ethane;3-(hydroxymethyl)-N,5-dimethylpiperidine-1-carboxamide
CID 176713154
3-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43403430
N-butyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 43403432
[1-[3-(Hydroxymethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea
CID 43422464

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide (CID 111435221) is 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is CSCCCNC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
The InChIKey is FREQZRYSOANFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16-7-3-5-12-11(15)13-6-2-4-10(8-13)9-14/h10,14H,2-9H2,1H3,(H,12,15).
What are the key properties of 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide has a molecular weight of 246.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 111435221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).