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

C15H23N3O2S — CID 43742532

IUPACN-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C15H23N3O2S/c1-16-21(19,20)15-7-3-11(4-8-15)17-12-9-13-5-6-14(10-12)18(13)2/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3
InChIKeyKXPFMRMDACLKGY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.63
Rot. Bonds4

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

N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide (PubChem CID 43742532) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
PubChem CID43742532
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C15H23N3O2S/c1-16-21(19,20)15-7-3-11(4-8-15)17-12-9-13-5-6-14(10-12)18(13)2/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3
InChIKeyKXPFMRMDACLKGY-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
CID 43742541
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43737988
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131668
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide (CID 43742532) is N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CC3CCC(C2)N3C)cc1.
What is the InChIKey of N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide?
The InChIKey is KXPFMRMDACLKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-16-21(19,20)15-7-3-11(4-8-15)17-12-9-13-5-6-14(10-12)18(13)2/h3-4,7-8,12-14,16-17H,5-6,9-10H2,1-2H3.
What are the key properties of N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide?
N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 43742532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).