3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride

C12H25ClN2O3S — CID 120877009

IUPAC3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)C2CCCOC2)CCC1N.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-12(2)9-14(6-5-11(12)13)18(15,16)10-4-3-7-17-8-10;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyMJOQEYXZNNLHJM-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.98
Rot. Bonds2

About 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride

3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 120877009) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
PubChem CID120877009
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)C2CCCOC2)CCC1N.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-12(2)9-14(6-5-11(12)13)18(15,16)10-4-3-7-17-8-10;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyMJOQEYXZNNLHJM-UHFFFAOYSA-N
XLogP0.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642
(3S)-1-[(3R)-oxan-3-yl]sulfonylpyrrolidin-3-amine
CID 100627309
N-methyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120875093
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565
1-cyclopentylsulfonyl-4,4-dimethylpyrrolidin-3-amine
CID 165448574
(3S)-3-methyl-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120875759
3-(oxan-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120875403
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
methyl 2-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylcyclohexane-1-carboxylate;hydrochloride
CID 120876999

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride (CID 120877009) is 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)C2CCCOC2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is MJOQEYXZNNLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-12(2)9-14(6-5-11(12)13)18(15,16)10-4-3-7-17-8-10;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120877009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).