(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide

C9H18N2O3S — CID 155294420

IUPAC(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(S(C)(=O)=O)[C@H]1C
InChIInChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyCPUIXPUDABQXEN-YUMQZZPRSA-N
MW234.32 g/mol
LogP-0.21
Rot. Bonds2

About (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide

(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 155294420) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID155294420
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(S(C)(=O)=O)[C@H]1C
InChIInChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyCPUIXPUDABQXEN-YUMQZZPRSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide (CID 155294420) is (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(S(C)(=O)=O)[C@H]1C.
What is the InChIKey of (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is CPUIXPUDABQXEN-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7-8(9(12)10-2)5-4-6-11(7)15(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide?
(2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,2-dimethyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 155294420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).