3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine

C18H30N2O3S — CID 120779320

IUPAC3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCC(C)CCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O3S/c1-14(2)10-12-23-15-5-7-16(8-6-15)24(21,22)20-11-9-17(19)18(3,4)13-20/h5-8,14,17H,9-13,19H2,1-4H3
InChIKeyOWYQTCAYHQAOSI-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.86
Rot. Bonds6

About 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine

3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine (PubChem CID 120779320) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
PubChem CID120779320
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine
SMILESCC(C)CCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O3S/c1-14(2)10-12-23-15-5-7-16(8-6-15)24(21,22)20-11-9-17(19)18(3,4)13-20/h5-8,14,17H,9-13,19H2,1-4H3
InChIKeyOWYQTCAYHQAOSI-UHFFFAOYSA-N
XLogP2.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 120779154
4-(3-methylbutoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 4948201
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
1-(1,3-benzothiazol-6-ylsulfonyl)-3,3-dimethylpiperidin-4-amine
CID 120778982
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine (CID 120779320) is 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine is CC(C)CCOc1ccc(S(=O)(=O)N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine?
The InChIKey is OWYQTCAYHQAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-14(2)10-12-23-15-5-7-16(8-6-15)24(21,22)20-11-9-17(19)18(3,4)13-20/h5-8,14,17H,9-13,19H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine?
3,3-dimethyl-1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine has a molecular weight of 354.52 g/mol, XLogP of 2.86, 6 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-(3-methylbutoxy)phenyl]sulfonylpiperidin-4-amine is sourced from PubChem (CID 120779320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).