N-(3-methylsulfonylpropyl)piperidine-4-carboxamide

C10H20N2O3S — CID 61037734

IUPACN-(3-methylsulfonylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)8-2-5-12-10(13)9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFZJKVQPJAUZMAX-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds5

About N-(3-methylsulfonylpropyl)piperidine-4-carboxamide

N-(3-methylsulfonylpropyl)piperidine-4-carboxamide (PubChem CID 61037734) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)piperidine-4-carboxamide
PubChem CID61037734
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(3-methylsulfonylpropyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)8-2-5-12-10(13)9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyFZJKVQPJAUZMAX-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylsulfonylpropyl)piperidine-4-carboxamide (CID 61037734) is N-(3-methylsulfonylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)piperidine-4-carboxamide is CS(=O)(=O)CCCNC(=O)C1CCNCC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
The InChIKey is FZJKVQPJAUZMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(14,15)8-2-5-12-10(13)9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(3-methylsulfonylpropyl)piperidine-4-carboxamide?
N-(3-methylsulfonylpropyl)piperidine-4-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 61037734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).