3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride

C12H23ClN2O3S — CID 120875403

IUPAC3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
SMILESCl.O=S(=O)(C1CCCOC1)N1CCC2CCC(C1)N2
InChIInChI=1S/C12H22N2O3S.ClH/c15-18(16,12-2-1-7-17-9-12)14-6-5-10-3-4-11(8-14)13-10;/h10-13H,1-9H2;1H
InChIKeyASKGNQJKDBCUSQ-UHFFFAOYSA-N
MW310.85 g/mol
LogP0.74
Rot. Bonds2

About 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride

3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride (PubChem CID 120875403) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride.

Molecular Properties

Compound Name3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
PubChem CID120875403
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
SMILESCl.O=S(=O)(C1CCCOC1)N1CCC2CCC(C1)N2
InChIInChI=1S/C12H22N2O3S.ClH/c15-18(16,12-2-1-7-17-9-12)14-6-5-10-3-4-11(8-14)13-10;/h10-13H,1-9H2;1H
InChIKeyASKGNQJKDBCUSQ-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
CID 100627309
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
3-pyrrolidin-1-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989191
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
2,3-dimethyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876580
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129461062
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
oxocane-3-sulfonic acid
CID 58892609
3-(2,2-dimethylpropylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314221
1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 120999650
3-(3,5-dimethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989667

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The IUPAC name of 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride (CID 120875403) is 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride.
What is the SMILES notation for 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The canonical SMILES for 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride is Cl.O=S(=O)(C1CCCOC1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
The InChIKey is ASKGNQJKDBCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S.ClH/c15-18(16,12-2-1-7-17-9-12)14-6-5-10-3-4-11(8-14)13-10;/h10-13H,1-9H2;1H.
What are the key properties of 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride?
3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride is sourced from PubChem (CID 120875403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).