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

C9H17N3O2S — CID 43597365

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)N1CCCC1
InChIInChI=1S/C9H17N3O2S/c13-15(14,12-3-1-2-4-12)11-9-7-5-10-6-8(7)9/h7-11H,1-6H2
InChIKeyXSJMICSMHBGRAY-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.87
Rot. Bonds3

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide (PubChem CID 43597365) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide
PubChem CID43597365
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1C2CNCC21)N1CCCC1
InChIInChI=1S/C9H17N3O2S/c13-15(14,12-3-1-2-4-12)11-9-7-5-10-6-8(7)9/h7-11H,1-6H2
InChIKeyXSJMICSMHBGRAY-UHFFFAOYSA-N
XLogP-0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S)-3-methylsulfonyl-N-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 149538760
N-[3-[[(3S)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide
CID 166150551
N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide
CID 166150997
4-[Cyclopropylmethyl(sulfamoyl)amino]piperidine
CID 167049531
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)-4-methylpiperidine-1-sulfonamide
CID 43597364
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-sulfonamide
CID 43597366
N-(3-azabicyclo[3.1.0]hexan-6-yl)piperidine-1-sulfonamide
CID 43597367
N-(3-azabicyclo[3.1.0]hexan-6-yl)azepane-1-sulfonamide
CID 43597369
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

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide (CID 43597365) is N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide is O=S(=O)(NC1C2CNCC21)N1CCCC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide?
The InChIKey is XSJMICSMHBGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c13-15(14,12-3-1-2-4-12)11-9-7-5-10-6-8(7)9/h7-11H,1-6H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-1-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of -0.87, 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43597365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).