N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide

C11H21N3O2S — CID 43597364

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2C3CNCC32)CC1
InChIInChI=1S/C11H21N3O2S/c1-8-2-4-14(5-3-8)17(15,16)13-11-9-6-12-7-10(9)11/h8-13H,2-7H2,1H3
InChIKeyPYFKVWUJWFFHOQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.23
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide (PubChem CID 43597364) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide
PubChem CID43597364
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2C3CNCC32)CC1
InChIInChI=1S/C11H21N3O2S/c1-8-2-4-14(5-3-8)17(15,16)13-11-9-6-12-7-10(9)11/h8-13H,2-7H2,1H3
InChIKeyPYFKVWUJWFFHOQ-UHFFFAOYSA-N
XLogP-0.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide (CID 43597364) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2C3CNCC32)CC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is PYFKVWUJWFFHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8-2-4-14(5-3-8)17(15,16)13-11-9-6-12-7-10(9)11/h8-13H,2-7H2,1H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of -0.23, 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)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43597364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).