3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine

C16H26N2O3S — CID 120779463

IUPAC3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-4-11-21-13-5-7-14(8-6-13)22(19,20)18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyWSBNEBUEKCOUSY-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.22
Rot. Bonds5

About 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine

3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine (PubChem CID 120779463) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
PubChem CID120779463
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-4-11-21-13-5-7-14(8-6-13)22(19,20)18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyWSBNEBUEKCOUSY-UHFFFAOYSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
CID 120779320
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 120779154
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine (CID 120779463) is 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine is CCCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine?
The InChIKey is WSBNEBUEKCOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-4-11-21-13-5-7-14(8-6-13)22(19,20)18-10-9-15(17)16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine?
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine has a molecular weight of 326.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120779463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).