N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide

C18H21N3O3S — CID 146132988

IUPACN,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc2c(n1)CCC2=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O3S/c1-12(13-5-4-6-14(11-13)25(23,24)21(2)3)19-18-10-7-15-16(20-18)8-9-17(15)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyBFQNOFPOIQQQGJ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.63
Rot. Bonds5

About N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide

N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 146132988) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID146132988
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccc2c(n1)CCC2=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O3S/c1-12(13-5-4-6-14(11-13)25(23,24)21(2)3)19-18-10-7-15-16(20-18)8-9-17(15)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,20)
InChIKeyBFQNOFPOIQQQGJ-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 167897810
3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 97338549
3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 91660415
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 111521852
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
methyl 6-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]pyridazine-3-carboxylate
CID 154774698
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide (CID 146132988) is N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide is CC(Nc1ccc2c(n1)CCC2=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is BFQNOFPOIQQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(13-5-4-6-14(11-13)25(23,24)21(2)3)19-18-10-7-15-16(20-18)8-9-17(15)22/h4-7,10-12H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide?
N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 146132988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).