N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide

C16H17N3O2S2 — CID 71871115

IUPACN-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(CNc2ccnc3ccsc23)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17N3O2S2/c1-19(23(2,20)21)13-5-3-12(4-6-13)11-18-14-7-9-17-15-8-10-22-16(14)15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyIMCIEHLNQSWAPJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.30
Rot. Bonds5

About N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide

N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide (PubChem CID 71871115) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide
PubChem CID71871115
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide
SMILESCN(c1ccc(CNc2ccnc3ccsc23)cc1)S(C)(=O)=O
InChIInChI=1S/C16H17N3O2S2/c1-19(23(2,20)21)13-5-3-12(4-6-13)11-18-14-7-9-17-15-8-10-22-16(14)15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyIMCIEHLNQSWAPJ-UHFFFAOYSA-N
XLogP3.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133431380
4-[2-(thieno[3,2-b]pyridin-7-ylamino)ethyl]benzenesulfonamide
CID 71871497
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thieno[3,2-b]pyridin-7-amine
CID 166258647
N-(imidazo[1,2-a]pyridin-7-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 166214091
N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133317628
N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 133318070
N-methyl-5-[(thieno[3,2-b]pyridin-7-ylamino)methyl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 167912314
N-[2-(2-methylprop-2-enoxy)ethyl]thieno[3,2-b]pyridin-7-amine
CID 133366334
N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
N-[4-(aminomethyl)phenyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 55142521
N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 43236117

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide (CID 71871115) is N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide is CN(c1ccc(CNc2ccnc3ccsc23)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide?
The InChIKey is IMCIEHLNQSWAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-19(23(2,20)21)13-5-3-12(4-6-13)11-18-14-7-9-17-15-8-10-22-16(14)15/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide?
N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71871115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).