N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide

C13H17N3O3S2 — CID 106000806

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)s1
InChIInChI=1S/C13H17N3O3S2/c1-14-9-11-4-6-13(20-11)21(17,18)16-8-10-3-5-12(19-2)15-7-10/h3-7,14,16H,8-9H2,1-2H3
InChIKeyFCEQSXDMBMSAND-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.35
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide

N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106000806) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106000806
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)s1
InChIInChI=1S/C13H17N3O3S2/c1-14-9-11-4-6-13(20-11)21(17,18)16-8-10-3-5-12(19-2)15-7-10/h3-7,14,16H,8-9H2,1-2H3
InChIKeyFCEQSXDMBMSAND-UHFFFAOYSA-N
XLogP1.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106411040
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
CID 87032101
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
CID 107651707
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide (CID 106000806) is N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccc(OC)nc2)s1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FCEQSXDMBMSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-14-9-11-4-6-13(20-11)21(17,18)16-8-10-3-5-12(19-2)15-7-10/h3-7,14,16H,8-9H2,1-2H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide?
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106000806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).