N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

C14H19N3O3S2 — CID 33294779

IUPACN,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCCc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1
InChIInChI=1S/C14H19N3O3S2/c1-4-5-13-15-11(10-21-13)8-17-9-12(6-7-14(17)18)22(19,20)16(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyHNSHKYNTWLBCET-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.56
Rot. Bonds6

About N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 33294779) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID33294779
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCCCc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1
InChIInChI=1S/C14H19N3O3S2/c1-4-5-13-15-11(10-21-13)8-17-9-12(6-7-14(17)18)22(19,20)16(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyHNSHKYNTWLBCET-UHFFFAOYSA-N
XLogP1.56
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
N,N-dimethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-sulfonamide
CID 25475278
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
(1S)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51728144
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51728146
N,N-dimethyl-6-oxo-1-[(1-phenyltetrazol-5-yl)methyl]pyridine-3-sulfonamide
CID 26963100
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24527575
N,N-diethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxopyridine-3-sulfonamide
CID 38867518
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 27277189
N,N-dimethyl-6-oxo-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]pyridine-3-sulfonamide
CID 9280616
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7828878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (CID 33294779) is N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is CCCc1nc(Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cs1.
What is the InChIKey of N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is HNSHKYNTWLBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-4-5-13-15-11(10-21-13)8-17-9-12(6-7-14(17)18)22(19,20)16(2)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 33294779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).