3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride

C13H27Cl2N3O2S — CID 154910770

IUPAC3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
SMILESCN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-15(2)19(17,18)7-3-6-16-12-4-5-13(16)11-9-14-8-10(11)12;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+,12-,13+;;
InChIKeyUWXWNSMUWYKTLH-NRKRBZPGSA-N
MW360.35 g/mol
LogP0.79
Rot. Bonds5

About 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride

3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride (PubChem CID 154910770) has the molecular formula C13H27Cl2N3O2S and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
PubChem CID154910770
Molecular FormulaC13H27Cl2N3O2S
Molecular Weight360.35 g/mol
Exact Mass359.12
IUPAC Name3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
SMILESCN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-15(2)19(17,18)7-3-6-16-12-4-5-13(16)11-9-14-8-10(11)12;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+,12-,13+;;
InChIKeyUWXWNSMUWYKTLH-NRKRBZPGSA-N
XLogP0.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride with MolForge

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Related Compounds

(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N,N-dimethylpropane-1-sulfonamide
CID 136518272
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 106337238
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91837582
(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 122562078
3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
CID 165460561
N,N-dimethylheptane-1-sulfonamide
CID 118391256
3-(2,9-dioxo-12-phenyl-1,4,8-triazacyclotetradec-4-yl)-N,N-dimethylpropane-1-sulfonamide
CID 155919793
3-[(3R,3aS,6aR)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride
CID 171330425
N-[2-(dimethylsulfamoyl)ethyl]-2-piperidin-3-ylacetamide
CID 106337529
1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 139598945
4-[azetidin-3-yl(methyl)sulfamoyl]butanoic acid
CID 66186641

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride?
The IUPAC name of 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride (CID 154910770) is 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride?
The canonical SMILES for 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride is CN(C)S(=O)(=O)CCCN1[C@@H]2CC[C@H]1[C@H]1CNC[C@H]12.Cl.Cl.
What is the InChIKey of 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride?
The InChIKey is UWXWNSMUWYKTLH-NRKRBZPGSA-N. The full InChI is InChI=1S/C13H25N3O2S.2ClH/c1-15(2)19(17,18)7-3-6-16-12-4-5-13(16)11-9-14-8-10(11)12;;/h10-14H,3-9H2,1-2H3;2*1H/t10-,11+,12-,13+;;.
What are the key properties of 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride?
3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride has a molecular weight of 360.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-N,N-dimethylpropane-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 154910770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).