N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

C17H26N2O2S — CID 58742077

IUPACN-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCCC(C)NS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C17H26N2O2S/c1-3-12(2)18-22(20,21)19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,12,15-19H,3,8-11H2,1-2H3
InChIKeyCYYOYNRBJHKRLE-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.40
Rot. Bonds5

About N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine

N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (PubChem CID 58742077) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.

Molecular Properties

Compound NameN-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
PubChem CID58742077
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
SMILESCCC(C)NS(=O)(=O)NC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C17H26N2O2S/c1-3-12(2)18-22(20,21)19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,12,15-19H,3,8-11H2,1-2H3
InChIKeyCYYOYNRBJHKRLE-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine 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

N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
2,3,4,5,6-pentafluoro-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)benzenesulfonamide
CID 87773175
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol
CID 107865055
N-ethyl-N-methyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)acetamide
CID 107851708
N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 104759583
1-(propan-2-ylsulfamoylamino)-2,3-dihydro-1H-inden-2-ol
CID 115969830
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
N-[(2R)-butan-2-yl]-1-[3-(thian-4-ylamino)phenyl]methanesulfonamide
CID 97079815
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The IUPAC name of N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine (CID 58742077) is N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine.
What is the SMILES notation for N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The canonical SMILES for N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is CCC(C)NS(=O)(=O)NC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
The InChIKey is CYYOYNRBJHKRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-12(2)18-22(20,21)19-17-15-8-9-16(17)11-14-7-5-4-6-13(14)10-15/h4-7,12,15-19H,3,8-11H2,1-2H3.
What are the key properties of N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine?
N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine has a molecular weight of 322.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine is sourced from PubChem (CID 58742077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).