[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone

C12H22N2O3S — CID 100672566

IUPAC[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-13(2)11-4-3-6-14(8-11)12(15)10-5-7-18(16,17)9-10/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYVBJCQAJVNCSAY-GHMZBOCLSA-N
MW274.39 g/mol
LogP-0.03
Rot. Bonds2

About [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone

[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone (PubChem CID 100672566) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
PubChem CID100672566
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-13(2)11-4-3-6-14(8-11)12(15)10-5-7-18(16,17)9-10/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyYVBJCQAJVNCSAY-GHMZBOCLSA-N
XLogP-0.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
(1,1-dioxothiolan-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029559
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042258
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
2-[[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813636
(1,1-dioxothiolan-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62372380
[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
[(3R)-1,1-dioxothiolan-3-yl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761323
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone (CID 100672566) is [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone is CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The InChIKey is YVBJCQAJVNCSAY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-13(2)11-4-3-6-14(8-11)12(15)10-5-7-18(16,17)9-10/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone has a molecular weight of 274.39 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone is sourced from PubChem (CID 100672566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).