3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one

C14H28N2O3S — CID 79610749

IUPAC3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
SMILESCCC(C)(C(=O)CC1CCCN(S(C)(=O)=O)C1)N(C)C
InChIInChI=1S/C14H28N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12H,6-11H2,1-5H3
InChIKeyJSEVWZCFCBJRJK-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.35
Rot. Bonds6

About 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one

3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one (PubChem CID 79610749) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
PubChem CID79610749
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
SMILESCCC(C)(C(=O)CC1CCCN(S(C)(=O)=O)C1)N(C)C
InChIInChI=1S/C14H28N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12H,6-11H2,1-5H3
InChIKeyJSEVWZCFCBJRJK-UHFFFAOYSA-N
XLogP1.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79610035
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
4,5,5-trimethyl-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-one
CID 115784270
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one (CID 79610749) is 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one is CCC(C)(C(=O)CC1CCCN(S(C)(=O)=O)C1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one?
The InChIKey is JSEVWZCFCBJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-6-14(2,15(3)4)13(17)10-12-8-7-9-16(11-12)20(5,18)19/h12H,6-11H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one?
3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one has a molecular weight of 304.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one is sourced from PubChem (CID 79610749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).