4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide

C15H23N3O2S — CID 61012057

IUPAC4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
SMILESCN1C2CCC1CC(CNc1ccc(S(N)(=O)=O)cc1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-13-4-5-14(18)9-11(8-13)10-17-12-2-6-15(7-3-12)21(16,19)20/h2-3,6-7,11,13-14,17H,4-5,8-10H2,1H3,(H2,16,19,20)
InChIKeyDGZIIAVKFZGMNX-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.62
Rot. Bonds4

About 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide

4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide (PubChem CID 61012057) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
PubChem CID61012057
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide
SMILESCN1C2CCC1CC(CNc1ccc(S(N)(=O)=O)cc1)C2
InChIInChI=1S/C15H23N3O2S/c1-18-13-4-5-14(18)9-11(8-13)10-17-12-2-6-15(7-3-12)21(16,19)20/h2-3,6-7,11,13-14,17H,4-5,8-10H2,1H3,(H2,16,19,20)
InChIKeyDGZIIAVKFZGMNX-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide with MolForge

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Related Compounds

4-[(1-ethylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 54927732
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-nitroaniline
CID 61012733
N-[(3-aminocyclobutyl)methyl]-4-ethylsulfonylaniline
CID 66006290
4-[(5-methyloxolan-2-yl)methylamino]benzenesulfonamide
CID 82834419
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
CID 63760437
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
3-[(4-ethylsulfonylanilino)methyl]cyclobutan-1-ol
CID 66006142
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide
CID 61355216
3-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclopentan-1-ol
CID 103269700
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439
N-[(3-aminocyclohexyl)methyl]-4-ethylsulfonylaniline
CID 106128111
N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
CID 43742532

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide (CID 61012057) is 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide is CN1C2CCC1CC(CNc1ccc(S(N)(=O)=O)cc1)C2.
What is the InChIKey of 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide?
The InChIKey is DGZIIAVKFZGMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-13-4-5-14(18)9-11(8-13)10-17-12-2-6-15(7-3-12)21(16,19)20/h2-3,6-7,11,13-14,17H,4-5,8-10H2,1H3,(H2,16,19,20).
What are the key properties of 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide?
4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 61012057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).