N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen

C14H25N3O3S — CID 142366581

IUPACN'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen
SMILESCC1CCCC(C)N1C(=O)NNS(=O)(=O)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C14H21N3O3S.2H2/c1-11-7-6-8-12(2)17(11)14(18)15-16-21(19,20)13-9-4-3-5-10-13;;/h3-5,9-12,16H,6-8H2,1-2H3,(H,15,18);2*1H
InChIKeyODKCZTJKFWMVKK-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.34
Rot. Bonds3

About N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen

N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen (PubChem CID 142366581) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen
PubChem CID142366581
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen
SMILESCC1CCCC(C)N1C(=O)NNS(=O)(=O)c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C14H21N3O3S.2H2/c1-11-7-6-8-12(2)17(11)14(18)15-16-21(19,20)13-9-4-3-5-10-13;;/h3-5,9-12,16H,6-8H2,1-2H3,(H,15,18);2*1H
InChIKeyODKCZTJKFWMVKK-UHFFFAOYSA-N
XLogP2.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen?
The IUPAC name of N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen (CID 142366581) is N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen.
What is the SMILES notation for N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen?
The canonical SMILES for N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen is CC1CCCC(C)N1C(=O)NNS(=O)(=O)c1ccccc1.[H][H].[H][H].
What is the InChIKey of N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen?
The InChIKey is ODKCZTJKFWMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.2H2/c1-11-7-6-8-12(2)17(11)14(18)15-16-21(19,20)13-9-4-3-5-10-13;;/h3-5,9-12,16H,6-8H2,1-2H3,(H,15,18);2*1H.
What are the key properties of N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen?
N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen has a molecular weight of 315.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,6-dimethylpiperidine-1-carbohydrazide;molecular hydrogen is sourced from PubChem (CID 142366581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).