N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide

C15H23N3O4S — CID 7829062

IUPACN,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1
InChIInChI=1S/C15H23N3O4S/c1-12-5-4-8-17(9-12)15(20)11-18-10-13(6-7-14(18)19)23(21,22)16(2)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyBTJAZPDKTWNEGV-LBPRGKRZSA-N
MW341.43 g/mol
LogP0.36
Rot. Bonds4

About N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 7829062) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
PubChem CID7829062
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1
InChIInChI=1S/C15H23N3O4S/c1-12-5-4-8-17(9-12)15(20)11-18-10-13(6-7-14(18)19)23(21,22)16(2)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m0/s1
InChIKeyBTJAZPDKTWNEGV-LBPRGKRZSA-N
XLogP0.36
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide (CID 7829062) is N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide is C[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)C1.
What is the InChIKey of N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is BTJAZPDKTWNEGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12-5-4-8-17(9-12)15(20)11-18-10-13(6-7-14(18)19)23(21,22)16(2)3/h6-7,10,12H,4-5,8-9,11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 7829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).