oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

C13H14N2O4S — CID 171155059

IUPACoxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESO=C(O)C(=O)O.c1cncc(CNCc2ccsc2)c1
InChIInChI=1S/C11H12N2S.C2H2O4/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;3-1(4)2(5)6/h1-6,9,13H,7-8H2;(H,3,4)(H,5,6)
InChIKeyHNMHNUOLXMJEFE-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.59
Rot. Bonds4

About oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine

oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 171155059) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Nameoxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
PubChem CID171155059
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameoxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
SMILESO=C(O)C(=O)O.c1cncc(CNCc2ccsc2)c1
InChIInChI=1S/C11H12N2S.C2H2O4/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;3-1(4)2(5)6/h1-6,9,13H,7-8H2;(H,3,4)(H,5,6)
InChIKeyHNMHNUOLXMJEFE-UHFFFAOYSA-N
XLogP1.59
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
oxalic acid;N-phenyl-2-(pyridin-3-ylmethylamino)acetamide
CID 175652905
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62555085
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
2-pyridin-3-yl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 136577377
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine (CID 171155059) is oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is O=C(O)C(=O)O.c1cncc(CNCc2ccsc2)c1.
What is the InChIKey of oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is HNMHNUOLXMJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.C2H2O4/c1-2-10(6-12-4-1)7-13-8-11-3-5-14-9-11;3-1(4)2(5)6/h1-6,9,13H,7-8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine?
oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 294.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 171155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).