(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione

C14H14Cl2N2O4S — CID 140762103

IUPAC(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione
SMILESO=C1CNC(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-12H,1-3,7H2,(H,17,20)/t11-,12+/m1/s1
InChIKeyKZULUCLRKRZLNL-NEPJUHHUSA-N
MW377.25 g/mol
LogP1.60
Rot. Bonds2

About (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione

(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione (PubChem CID 140762103) has the molecular formula C14H14Cl2N2O4S and a molecular weight of 377.25 g/mol. Its IUPAC name is (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione.

Molecular Properties

Compound Name(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione
PubChem CID140762103
Molecular FormulaC14H14Cl2N2O4S
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC Name(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione
SMILESO=C1CNC(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-12H,1-3,7H2,(H,17,20)/t11-,12+/m1/s1
InChIKeyKZULUCLRKRZLNL-NEPJUHHUSA-N
XLogP1.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione with MolForge

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Related Compounds

(1S,5R,6R)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118249538
12-(3,5-dichlorophenyl)sulfonyl-6-hydroxy-4,12-diazabicyclo[5.4.1]dodecan-3-one
CID 123819307
(1S,5R,6R)-10-(3,5-dichlorophenyl)sulfonyl-3-(2-hydroxyethyl)-5-(hydroxymethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118249528
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 146532275
5-acetyl-10-(3,5-dichlorophenyl)sulfonyl-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 123624348
(1S,5S,6R)-5-acetyl-10-(3,5-dichlorophenyl)sulfonyl-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118249571
(5S)-5-acetyl-10-(3,5-dichlorophenyl)sulfonyl-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118249515
(1S,5S,6R)-10-(3,5-dichlorophenyl)sulfonyl-5-(2-hydroxyethyl)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118249562
(6R)-10-(3,5-dichlorophenyl)sulfonyl-3-(2-methoxyethyl)-5-(methylaminomethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118257780
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione?
The IUPAC name of (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione (CID 140762103) is (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione.
What is the SMILES notation for (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione?
The canonical SMILES for (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione is O=C1CNC(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione?
The InChIKey is KZULUCLRKRZLNL-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-12H,1-3,7H2,(H,17,20)/t11-,12+/m1/s1.
What are the key properties of (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione?
(1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione has a molecular weight of 377.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-10-(3,5-dichlorophenyl)sulfonyl-3,10-diazabicyclo[4.3.1]decane-2,5-dione is sourced from PubChem (CID 140762103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).