N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide

C16H22N3O3S2+ — CID 9321678

IUPACN,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@@H]1c2ccsc2CC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H21N3O3S2/c1-12-14-7-9-23-15(14)6-8-18(12)11-19-10-13(4-5-16(19)20)24(21,22)17(2)3/h4-5,7,9-10,12H,6,8,11H2,1-3H3/p+1/t12-/m1/s1
InChIKeyBPNMIFJKVNWROU-GFCCVEGCSA-O
MW368.50 g/mol
LogP0.32
Rot. Bonds4

About N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide

N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide (PubChem CID 9321678) has the molecular formula C16H22N3O3S2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide
PubChem CID9321678
Molecular FormulaC16H22N3O3S2+
Molecular Weight368.50 g/mol
Exact Mass368.11
IUPAC NameN,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide
SMILESC[C@@H]1c2ccsc2CC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O
InChIInChI=1S/C16H21N3O3S2/c1-12-14-7-9-23-15(14)6-8-18(12)11-19-10-13(4-5-16(19)20)24(21,22)17(2)3/h4-5,7,9-10,12H,6,8,11H2,1-3H3/p+1/t12-/m1/s1
InChIKeyBPNMIFJKVNWROU-GFCCVEGCSA-O
XLogP0.32
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide with MolForge

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Related Compounds

N,N-dimethyl-6-oxo-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-sulfonamide
CID 9244801
1-[[(4S)-4-ethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-5-nitropyridin-2-one
CID 9320830
1-methyl-3-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]imidazole-2-thione
CID 9321045
1-methyl-3-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321667
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
8-methyl-3-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9321197
methyl 1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidine-4-carboxylate
CID 9236283
1-[2-(1-adamantyl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24530870
ethyl (3R)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]piperidin-1-ium-3-carboxylate
CID 9193715
1-(4-methoxyphenyl)-3-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9321727
2-[[(4S)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
CID 9321338
N,N-dimethyl-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-6-oxopyridine-3-sulfonamide
CID 94140377

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide (CID 9321678) is N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide is C[C@@H]1c2ccsc2CC[NH+]1Cn1cc(S(=O)(=O)N(C)C)ccc1=O.
What is the InChIKey of N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is BPNMIFJKVNWROU-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H21N3O3S2/c1-12-14-7-9-23-15(14)6-8-18(12)11-19-10-13(4-5-16(19)20)24(21,22)17(2)3/h4-5,7,9-10,12H,6,8,11H2,1-3H3/p+1/t12-/m1/s1.
What are the key properties of N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide?
N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(4R)-4-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]methyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 9321678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).