N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide

C15H20N2O2S — CID 43790084

IUPACN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC2CC3CC=CC32)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H20N2O2S/c1-10-8-12(6-7-14(10)17-20(2,18)19)16-15-9-11-4-3-5-13(11)15/h3,5-8,11,13,15-17H,4,9H2,1-2H3
InChIKeyWNIWGTIYBYQBHT-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.74
Rot. Bonds4

About N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide

N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide (PubChem CID 43790084) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
PubChem CID43790084
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
SMILESCc1cc(NC2CC3CC=CC32)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H20N2O2S/c1-10-8-12(6-7-14(10)17-20(2,18)19)16-15-9-11-4-3-5-13(11)15/h3,5-8,11,13,15-17H,4,9H2,1-2H3
InChIKeyWNIWGTIYBYQBHT-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
CID 60932516
N-[2-methyl-4-(oxan-4-ylamino)phenyl]methanesulfonamide
CID 43741204
N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 114838394
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
N-(4,5-dimethyl-2-nitrophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62100140
N-(3-chloro-4-propoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60935728
1-chloro-N-[4-(methanesulfonamido)-3-methylphenyl]methanesulfonamide
CID 55246411
N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63456328
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
CID 63953895
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide
CID 43741283
N-[4-[2-(tert-butylamino)ethylamino]-2-methylphenyl]methanesulfonamide
CID 107445229
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide (CID 43790084) is N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide is Cc1cc(NC2CC3CC=CC32)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide?
The InChIKey is WNIWGTIYBYQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10-8-12(6-7-14(10)17-20(2,18)19)16-15-9-11-4-3-5-13(11)15/h3,5-8,11,13,15-17H,4,9H2,1-2H3.
What are the key properties of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide?
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 43790084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).