(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide

C12H22N2O3S — CID 129369661

IUPAC(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCCNC1
InChIInChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyFMWPRUMJPSBQBZ-ZYHUDNBSSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds2

About (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide

(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide (PubChem CID 129369661) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
PubChem CID129369661
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
SMILESC[C@@]1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCCNC1
InChIInChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyFMWPRUMJPSBQBZ-ZYHUDNBSSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide (CID 129369661) is (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide is C[C@@]1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CCCNC1.
What is the InChIKey of (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
The InChIKey is FMWPRUMJPSBQBZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-12(5-3-6-13-9-12)11(15)14-10-4-2-7-18(16,17)8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide?
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 129369661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).