N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide

C16H26N2O4S — CID 94140377

IUPACN,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@H]1CCCC[C@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H26N2O4S/c1-13-6-4-5-7-15(13)22-11-10-18-12-14(8-9-16(18)19)23(20,21)17(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyNMXSHJSLINNUEG-DZGCQCFKSA-N
MW342.46 g/mol
LogP1.69
Rot. Bonds6

About N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 94140377) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
PubChem CID94140377
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@H]1CCCC[C@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H26N2O4S/c1-13-6-4-5-7-15(13)22-11-10-18-12-14(8-9-16(18)19)23(20,21)17(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t13-,15+/m0/s1
InChIKeyNMXSHJSLINNUEG-DZGCQCFKSA-N
XLogP1.69
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide (CID 94140377) is N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide is C[C@H]1CCCC[C@H]1OCCn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is NMXSHJSLINNUEG-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-6-4-5-7-15(13)22-11-10-18-12-14(8-9-16(18)19)23(20,21)17(2)3/h8-9,12-13,15H,4-7,10-11H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.69, 6 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-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 94140377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).