9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane

C14H30N4O2S — CID 106067150

IUPAC9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
SMILESCNCCCN(C)S(=O)(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H30N4O2S/c1-15-8-5-9-17(2)21(19,20)16-12-10-13-6-4-7-14(11-12)18(13)3/h12-16H,4-11H2,1-3H3
InChIKeyKBPZBQRSZKDQGS-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.38
Rot. Bonds7

About 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane

9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane (PubChem CID 106067150) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
PubChem CID106067150
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
SMILESCNCCCN(C)S(=O)(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C14H30N4O2S/c1-15-8-5-9-17(2)21(19,20)16-12-10-13-6-4-7-14(11-12)18(13)3/h12-16H,4-11H2,1-3H3
InChIKeyKBPZBQRSZKDQGS-UHFFFAOYSA-N
XLogP0.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
1-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanesulfonamide
CID 65472618
1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane (CID 106067150) is 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane is CNCCCN(C)S(=O)(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane?
The InChIKey is KBPZBQRSZKDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-15-8-5-9-17(2)21(19,20)16-12-10-13-6-4-7-14(11-12)18(13)3/h12-16H,4-11H2,1-3H3.
What are the key properties of 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane?
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane has a molecular weight of 318.49 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 106067150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).