3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine

C12H24N2O3S — CID 120779200

IUPAC3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)CC2CCOC2)CCC1N
InChIInChI=1S/C12H24N2O3S/c1-12(2)9-14(5-3-11(12)13)18(15,16)8-10-4-6-17-7-10/h10-11H,3-9,13H2,1-2H3
InChIKeyQNFWPBHPEXIQBA-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.41
Rot. Bonds3

About 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine

3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine (PubChem CID 120779200) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
PubChem CID120779200
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)CC2CCOC2)CCC1N
InChIInChI=1S/C12H24N2O3S/c1-12(2)9-14(5-3-11(12)13)18(15,16)8-10-4-6-17-7-10/h10-11H,3-9,13H2,1-2H3
InChIKeyQNFWPBHPEXIQBA-UHFFFAOYSA-N
XLogP0.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(oxan-3-ylsulfonyl)piperidin-4-amine;hydrochloride
CID 120877009
3,3-dimethyl-1-propylsulfonylpiperidin-4-amine;hydrochloride
CID 120779816
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822
3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
CID 120774849
1-cyclobutylsulfonyl-3,3-dimethylpiperidin-4-amine
CID 115276642
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985
2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
CID 97217854
3,3-dimethyl-1-(2-methylpentylsulfonyl)piperidin-4-amine;hydrochloride
CID 120779209
1-(azepan-1-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120779565

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine (CID 120779200) is 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine is CC1(C)CN(S(=O)(=O)CC2CCOC2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine?
The InChIKey is QNFWPBHPEXIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(2)9-14(5-3-11(12)13)18(15,16)8-10-4-6-17-7-10/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine?
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 120779200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).