(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone

C14H26N2O3S — CID 70702941

IUPAC(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-14(2)7-5-8-15(11-14)13(17)12-6-4-9-16(10-12)20(3,18)19/h12H,4-11H2,1-3H3
InChIKeyPBXHCGWGONWYDY-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.31
Rot. Bonds2

About (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone

(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone (PubChem CID 70702941) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
PubChem CID70702941
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCC1(C)CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H26N2O3S/c1-14(2)7-5-8-15(11-14)13(17)12-6-4-9-16(10-12)20(3,18)19/h12H,4-11H2,1-3H3
InChIKeyPBXHCGWGONWYDY-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355832
(3S)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120769
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868
1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 45372000
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
4-(1-methylsulfonylpiperidine-3-carbonyl)piperazine-1-carbaldehyde
CID 110700198
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone (CID 70702941) is (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone is CC1(C)CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone?
The InChIKey is PBXHCGWGONWYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-14(2)7-5-8-15(11-14)13(17)12-6-4-9-16(10-12)20(3,18)19/h12H,4-11H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone?
(3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone has a molecular weight of 302.44 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 70702941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).