2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride

C20H37ClN4O4S2 — CID 158425576

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride
SMILESCN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)NCC1CC2C=CC1C2.NCC1CC2C=CC1C2
InChIInChI=1S/C10H18N2O2S.C8H13N.C2H6ClNO2S/c1-12(2)15(13,14)11-7-10-6-8-3-4-9(10)5-8;9-5-8-4-6-1-2-7(8)3-6;1-4(2)7(3,5)6/h3-4,8-11H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3
InChIKeyHAZVAKPHCGHHEO-UHFFFAOYSA-N
MW497.13 g/mol
LogP1.78
Rot. Bonds6

About 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride

2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride (PubChem CID 158425576) has the molecular formula C20H37ClN4O4S2 and a molecular weight of 497.13 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride
PubChem CID158425576
Molecular FormulaC20H37ClN4O4S2
Molecular Weight497.13 g/mol
Exact Mass496.19
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride
SMILESCN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)NCC1CC2C=CC1C2.NCC1CC2C=CC1C2
InChIInChI=1S/C10H18N2O2S.C8H13N.C2H6ClNO2S/c1-12(2)15(13,14)11-7-10-6-8-3-4-9(10)5-8;9-5-8-4-6-1-2-7(8)3-6;1-4(2)7(3,5)6/h3-4,8-11H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3
InChIKeyHAZVAKPHCGHHEO-UHFFFAOYSA-N
XLogP1.78
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.13
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
CID 169244944
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1-trifluoromethanesulfonamide;chloromethane
CID 160966528
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
2-bicyclo[2.2.1]hept-5-enylmethanesulfonyl chloride
CID 131082366
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
CID 4680365
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43784813
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxybenzenesulfonamide
CID 3732053
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide
CID 70802209
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride (CID 158425576) is 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride is CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)NCC1CC2C=CC1C2.NCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride?
The InChIKey is HAZVAKPHCGHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S.C8H13N.C2H6ClNO2S/c1-12(2)15(13,14)11-7-10-6-8-3-4-9(10)5-8;9-5-8-4-6-1-2-7(8)3-6;1-4(2)7(3,5)6/h3-4,8-11H,5-7H2,1-2H3;1-2,6-8H,3-5,9H2;1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride?
2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride has a molecular weight of 497.13 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanamine;5-[(dimethylsulfamoylamino)methyl]bicyclo[2.2.1]hept-2-ene;N,N-dimethylsulfamoyl chloride is sourced from PubChem (CID 158425576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).