1-methylsulfonylpiperidine-2-carbaldehyde

C7H13NO3S — CID 63845011

IUPAC1-methylsulfonylpiperidine-2-carbaldehyde
SMILESCS(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C7H13NO3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3
InChIKeySJHRILRATRAHJL-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.00
Rot. Bonds2

About 1-methylsulfonylpiperidine-2-carbaldehyde

1-methylsulfonylpiperidine-2-carbaldehyde (PubChem CID 63845011) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-methylsulfonylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-methylsulfonylpiperidine-2-carbaldehyde
PubChem CID63845011
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1-methylsulfonylpiperidine-2-carbaldehyde
SMILESCS(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C7H13NO3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3
InChIKeySJHRILRATRAHJL-UHFFFAOYSA-N
XLogP-0.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine-2-carbaldehyde
CID 63844323
1-(Difluoromethylsulfonyl)piperidine-2-carbaldehyde
CID 63845006
5-Methyl-1-methylsulfonylpyrrolidine-2-carbaldehyde
CID 59877325
1-Methylpiperidine-2-carbaldehyde;methylsulfinylmethane
CID 157651516
N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]methanesulfonamide
CID 173297229
(2-Formylpiperidin-1-yl)methanesulfinate
CID 175290577
1-(2-Methylsulfonylethylsulfonyl)piperidine-2-carbaldehyde
CID 55258541
2-formyl-N,N-dipropylpiperidine-1-sulfonamide
CID 55258921
1-(1-Methylsulfonylpiperidin-2-yl)ethanone
CID 63844315
N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide
CID 63844328
1-(3-Methoxypropylsulfonyl)piperidine-2-carbaldehyde
CID 63844481
1-(3-Methylbutylsulfonyl)piperidine-2-carbaldehyde
CID 63844483

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidine-2-carbaldehyde?
The IUPAC name of 1-methylsulfonylpiperidine-2-carbaldehyde (CID 63845011) is 1-methylsulfonylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-methylsulfonylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-methylsulfonylpiperidine-2-carbaldehyde is CS(=O)(=O)N1CCCCC1C=O.
What is the InChIKey of 1-methylsulfonylpiperidine-2-carbaldehyde?
The InChIKey is SJHRILRATRAHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h6-7H,2-5H2,1H3.
What are the key properties of 1-methylsulfonylpiperidine-2-carbaldehyde?
1-methylsulfonylpiperidine-2-carbaldehyde has a molecular weight of 191.25 g/mol, XLogP of -0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidine-2-carbaldehyde is sourced from PubChem (CID 63845011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).