[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

C13H24N2O3S — CID 35522626

IUPAC[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H24N2O3S/c1-11-6-3-4-9-15(11)13(16)12-7-5-8-14(10-12)19(2,17)18/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyNEAUTEPGWFQVDN-RYUDHWBXSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds2

About [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone

[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone (PubChem CID 35522626) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
PubChem CID35522626
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H24N2O3S/c1-11-6-3-4-9-15(11)13(16)12-7-5-8-14(10-12)19(2,17)18/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyNEAUTEPGWFQVDN-RYUDHWBXSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355611
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
[(2R)-2-methylpiperidin-1-yl]-[(3R)-1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 6550021
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843
(1-methylsulfonylpiperidin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764368
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
(2S)-4-hydroxy-1-(1-methylsulfonylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151967
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 79030868

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone (CID 35522626) is [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone is C[C@H]1CCCCN1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
The InChIKey is NEAUTEPGWFQVDN-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-11-6-3-4-9-15(11)13(16)12-7-5-8-14(10-12)19(2,17)18/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone?
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone has a molecular weight of 288.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 35522626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).