1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine

C11H24N2O3S — CID 161104551

IUPAC1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
SMILESCOC(C)(C)CCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,16-3)6-9-17(14,15)13-7-4-10(12)5-8-13/h10H,4-9,12H2,1-3H3
InChIKeyUIWJQWAVARNHQD-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.55
Rot. Bonds5

About 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine

1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine (PubChem CID 161104551) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
PubChem CID161104551
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
SMILESCOC(C)(C)CCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C11H24N2O3S/c1-11(2,16-3)6-9-17(14,15)13-7-4-10(12)5-8-13/h10H,4-9,12H2,1-3H3
InChIKeyUIWJQWAVARNHQD-UHFFFAOYSA-N
XLogP0.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Propane-1-sulfonyl)piperidin-4-amine
CID 16774109
1-(2-Methylpropanesulfonyl)piperidin-4-amine
CID 64479327
1-(Propane-2-sulfonyl)piperidin-4-amine
CID 21090392
N-(3-methoxy-1,3-dimethylbutyl)-1-(methylsulfonyl)piperidin-4-amine
CID 43628711
1-(Butane-1-sulfonyl)piperidin-4-amine
CID 16772062
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
2-amino-N-(2-methoxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68822727
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374
1-[3-(1-Methoxypropan-2-ylamino)propylsulfonyl]piperidin-4-amine
CID 70954559
1-(2-Methoxyethylsulfinyl)piperidin-4-amine
CID 167193735
1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
CID 170623179

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine (CID 161104551) is 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine is COC(C)(C)CCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine?
The InChIKey is UIWJQWAVARNHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,16-3)6-9-17(14,15)13-7-4-10(12)5-8-13/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine?
1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 161104551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).