(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide

C11H22N2O4S — CID 94106905

IUPAC(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-17-9-5-7-12-11(14)10-6-3-4-8-13(10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyUWGMDADZZBQRRM-JTQLQIEISA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide

(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 94106905) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID94106905
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H22N2O4S/c1-17-9-5-7-12-11(14)10-6-3-4-8-13(10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyUWGMDADZZBQRRM-JTQLQIEISA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55979331
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
1-(5-chlorothiophen-2-yl)sulfonyl-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 24663293
(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide (CID 94106905) is (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide is COCCCNC(=O)[C@@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is UWGMDADZZBQRRM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-17-9-5-7-12-11(14)10-6-3-4-8-13(10)18(2,15)16/h10H,3-9H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide?
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 94106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).