(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride

C14H18Cl2N2O2S — CID 161309919

IUPAC(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1Cl)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C14H17ClN2O2S.ClH/c15-11-3-1-2-4-14(11)20(18,19)17-7-9-10(8-17)13-6-5-12(9)16-13;/h1-4,9-10,12-13,16H,5-8H2;1H/t9-,10+,12-,13+;
InChIKeyKNGUFTQLGSQMHI-DYFRLCEPSA-N
MW349.28 g/mol
LogP2.13
Rot. Bonds2

About (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride

(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride (PubChem CID 161309919) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride.

Molecular Properties

Compound Name(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
PubChem CID161309919
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1Cl)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1
InChIInChI=1S/C14H17ClN2O2S.ClH/c15-11-3-1-2-4-14(11)20(18,19)17-7-9-10(8-17)13-6-5-12(9)16-13;/h1-4,9-10,12-13,16H,5-8H2;1H/t9-,10+,12-,13+;
InChIKeyKNGUFTQLGSQMHI-DYFRLCEPSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The IUPAC name of (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride (CID 161309919) is (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride.
What is the SMILES notation for (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The canonical SMILES for (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride is Cl.O=S(=O)(c1ccccc1Cl)N1C[C@@H]2[C@H](C1)[C@@H]1CC[C@H]2N1.
What is the InChIKey of (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
The InChIKey is KNGUFTQLGSQMHI-DYFRLCEPSA-N. The full InChI is InChI=1S/C14H17ClN2O2S.ClH/c15-11-3-1-2-4-14(11)20(18,19)17-7-9-10(8-17)13-6-5-12(9)16-13;/h1-4,9-10,12-13,16H,5-8H2;1H/t9-,10+,12-,13+;.
What are the key properties of (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride?
(1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride has a molecular weight of 349.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-4-(2-chlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane;hydrochloride is sourced from PubChem (CID 161309919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).