5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

C11H13N3O2S2 — CID 114138779

IUPAC5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccncc2)cs1
InChIInChI=1S/C11H13N3O2S2/c12-6-10-5-11(8-17-10)18(15,16)14-7-9-1-3-13-4-2-9/h1-5,8,14H,6-7,12H2
InChIKeySPAGXURHEGYQKC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.08
Rot. Bonds5

About 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 114138779) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID114138779
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2ccncc2)cs1
InChIInChI=1S/C11H13N3O2S2/c12-6-10-5-11(8-17-10)18(15,16)14-7-9-1-3-13-4-2-9/h1-5,8,14H,6-7,12H2
InChIKeySPAGXURHEGYQKC-UHFFFAOYSA-N
XLogP1.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
5-(aminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 106082397
5-[(propan-2-ylamino)methyl]-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092523
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 103466132
5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077153
5-(aminomethyl)-N-pyridazin-3-ylthiophene-3-sulfonamide
CID 106084044
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide (CID 114138779) is 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2ccncc2)cs1.
What is the InChIKey of 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is SPAGXURHEGYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-6-10-5-11(8-17-10)18(15,16)14-7-9-1-3-13-4-2-9/h1-5,8,14H,6-7,12H2.
What are the key properties of 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114138779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).