3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane

C12H17N3O2S — CID 131227646

IUPAC3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
SMILESNS(=O)(=O)NC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C12H17N3O2S/c13-18(16,17)14-12-10-7-15(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H2,13,16,17)
InChIKeyUWZGSESZDHMWSZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.09
Rot. Bonds4

About 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane

3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane (PubChem CID 131227646) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
PubChem CID131227646
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
SMILESNS(=O)(=O)NC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C12H17N3O2S/c13-18(16,17)14-12-10-7-15(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H2,13,16,17)
InChIKeyUWZGSESZDHMWSZ-UHFFFAOYSA-N
XLogP-0.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylazetidine-3-sulfonamide
CID 137403810
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 154769758
2-N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diamine
CID 59075574
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 130855630
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
(3aR,6aR)-2-benzyl-5-methylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 129355444
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 167986912
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane (CID 131227646) is 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane is NS(=O)(=O)NC1C2CN(Cc3ccccc3)CC21.
What is the InChIKey of 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane?
The InChIKey is UWZGSESZDHMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-18(16,17)14-12-10-7-15(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2,(H2,13,16,17).
What are the key properties of 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane?
3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane has a molecular weight of 267.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 131227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).