N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride

C12H24ClN3O2S — CID 166150996

IUPACN-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1C2CN(C[C@@H]3CCNC3)CC21.Cl
InChIInChI=1S/C12H23N3O2S.ClH/c1-2-18(16,17)14-12-10-7-15(8-11(10)12)6-9-3-4-13-5-9;/h9-14H,2-8H2,1H3;1H/t9-,10?,11?,12?;/m1./s1
InChIKeyGQWAVSUZPKCYNF-CEDCMUAZSA-N
MW309.86 g/mol
LogP-0.11
Rot. Bonds5

About N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride

N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride (PubChem CID 166150996) has the molecular formula C12H24ClN3O2S and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride
PubChem CID166150996
Molecular FormulaC12H24ClN3O2S
Molecular Weight309.86 g/mol
Exact Mass309.13
IUPAC NameN-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1C2CN(C[C@@H]3CCNC3)CC21.Cl
InChIInChI=1S/C12H23N3O2S.ClH/c1-2-18(16,17)14-12-10-7-15(8-11(10)12)6-9-3-4-13-5-9;/h9-14H,2-8H2,1H3;1H/t9-,10?,11?,12?;/m1./s1
InChIKeyGQWAVSUZPKCYNF-CEDCMUAZSA-N
XLogP-0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride (CID 166150996) is N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NC1C2CN(C[C@@H]3CCNC3)CC21.Cl.
What is the InChIKey of N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride?
The InChIKey is GQWAVSUZPKCYNF-CEDCMUAZSA-N. The full InChI is InChI=1S/C12H23N3O2S.ClH/c1-2-18(16,17)14-12-10-7-15(8-11(10)12)6-9-3-4-13-5-9;/h9-14H,2-8H2,1H3;1H/t9-,10?,11?,12?;/m1./s1.
What are the key properties of N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride?
N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R)-pyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 166150996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).