1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde

C12H22N2O3S — CID 55258735

IUPAC1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
SMILESCC1CCCCN1S(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C12H22N2O3S/c1-11-5-2-3-8-14(11)18(16,17)13-7-4-6-12(9-13)10-15/h10-12H,2-9H2,1H3
InChIKeyQCXOAFZHJPNDIX-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde

1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde (PubChem CID 55258735) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
PubChem CID55258735
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
SMILESCC1CCCCN1S(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C12H22N2O3S/c1-11-5-2-3-8-14(11)18(16,17)13-7-4-6-12(9-13)10-15/h10-12H,2-9H2,1H3
InChIKeyQCXOAFZHJPNDIX-UHFFFAOYSA-N
XLogP1.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.02
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

2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
N-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714929
1-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63854362
1-[3-(2-bromoethyl)piperidin-1-yl]sulfonyl-2-methylpiperidine
CID 80673852
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
ethyl (3R)-1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxylate
CID 81308957
3-formyl-N,N-dimethylpiperidine-1-sulfonamide
CID 63845899
1-[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 113360742
[1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972063
4-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55598118
1-(methylsulfonylmethylsulfonyl)piperidine-3-carbaldehyde
CID 82842702
4-(2-methylpiperidin-1-yl)sulfonylmorpholine-2-carbonitrile
CID 78946362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde?
The IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde (CID 55258735) is 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde is CC1CCCCN1S(=O)(=O)N1CCCC(C=O)C1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde?
The InChIKey is QCXOAFZHJPNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-11-5-2-3-8-14(11)18(16,17)13-7-4-6-12(9-13)10-15/h10-12H,2-9H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde?
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde has a molecular weight of 274.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde is sourced from PubChem (CID 55258735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).