N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide

C12H23N3O2S — CID 43597415

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2C3CNCC32)C1
InChIInChI=1S/C12H23N3O2S/c1-8-3-9(2)7-15(6-8)18(16,17)14-12-10-4-13-5-11(10)12/h8-14H,3-7H2,1-2H3
InChIKeyHVAPESQJFGPQLZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.02
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43597415) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43597415
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2C3CNCC32)C1
InChIInChI=1S/C12H23N3O2S/c1-8-3-9(2)7-15(6-8)18(16,17)14-12-10-4-13-5-11(10)12/h8-14H,3-7H2,1-2H3
InChIKeyHVAPESQJFGPQLZ-UHFFFAOYSA-N
XLogP0.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 79685910
N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43597213
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 134034359
6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 114959300
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3,5-dimethylpiperidine-1-sulfonamide
CID 43132027
4-methyl-N-(5-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 107585361
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
N-[2-(hydroxymethyl)cyclopentyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103836020
N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
CID 64733123
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 43597415) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NC2C3CNCC32)C1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is HVAPESQJFGPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-8-3-9(2)7-15(6-8)18(16,17)14-12-10-4-13-5-11(10)12/h8-14H,3-7H2,1-2H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43597415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).