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

C11H21N3O2S — CID 43597369

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)N1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c15-17(16,14-5-3-1-2-4-6-14)13-11-9-7-12-8-10(9)11/h9-13H,1-8H2
InChIKeyICZNZYRRSXPLAP-UHFFFAOYSA-N
MW259.37 g/mol
LogP-0.09
Rot. Bonds3

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide (PubChem CID 43597369) 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)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide
PubChem CID43597369
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)N1CCCCCC1
InChIInChI=1S/C11H21N3O2S/c15-17(16,14-5-3-1-2-4-6-14)13-11-9-7-12-8-10(9)11/h9-13H,1-8H2
InChIKeyICZNZYRRSXPLAP-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4R)-azepan-4-yl]-3-azabicyclo[3.1.0]hexane
CID 137400878
N-(1-piperidin-3-ylethyl)pyrrolidine-1-sulfonamide
CID 43523451
N-(1-piperidin-3-ylethyl)azepane-1-sulfonamide
CID 43523455
N-(1-piperidin-4-ylethyl)azepane-1-sulfonamide
CID 43523487
6-[[Cyclohexyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane
CID 43597343
6-(Dipropylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 43597344
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide
CID 43597365
N-(3-azabicyclo[3.1.0]hexan-6-yl)piperidine-1-sulfonamide
CID 43597367
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpiperidine-1-sulfonamide
CID 43597370
6-(Dimethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 43597371
6-(Diethylsulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 43597373
6-[[Butyl(methyl)sulfamoyl]amino]-3-azabicyclo[3.1.0]hexane
CID 43597420

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide (CID 43597369) is N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide is O=S(=O)(NC1C2CNCC21)N1CCCCCC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide?
The InChIKey is ICZNZYRRSXPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c15-17(16,14-5-3-1-2-4-6-14)13-11-9-7-12-8-10(9)11/h9-13H,1-8H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of -0.09, 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)azepane-1-sulfonamide is sourced from PubChem (CID 43597369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).