(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

C13H24N4O4S — CID 94015669

IUPAC(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1
InChIInChI=1S/C13H24N4O4S/c1-14(2)22(20,21)17-5-3-4-12(10-17)13(19)16-8-6-15(11-18)7-9-16/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyIHQAZUBABXTQFO-GFCCVEGCSA-N
MW332.43 g/mol
LogP-1.19
Rot. Bonds4

About (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 94015669) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID94015669
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC Name(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1
InChIInChI=1S/C13H24N4O4S/c1-14(2)22(20,21)17-5-3-4-12(10-17)13(19)16-8-6-15(11-18)7-9-16/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyIHQAZUBABXTQFO-GFCCVEGCSA-N
XLogP-1.19
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylsulfonylpiperidine-3-carbonyl)piperazine-1-carbaldehyde
CID 110700198
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
3-formyl-N,N-dimethylpiperidine-1-sulfonamide
CID 63845899
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 94015669) is (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1.
What is the InChIKey of (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is IHQAZUBABXTQFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-14(2)22(20,21)17-5-3-4-12(10-17)13(19)16-8-6-15(11-18)7-9-16/h11-12H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of -1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 94015669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).