5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide

C9H14N2O3S — CID 79614139

IUPAC5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC(O)CO)c1
InChIInChI=1S/C9H14N2O3S/c10-9(14)6-1-8(15-5-6)3-11-2-7(13)4-12/h1,5,7,11-13H,2-4H2,(H2,10,14)
InChIKeyPEQCHKZUXTYTQK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.71
Rot. Bonds6

About 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide

5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide (PubChem CID 79614139) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
PubChem CID79614139
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCC(O)CO)c1
InChIInChI=1S/C9H14N2O3S/c10-9(14)6-1-8(15-5-6)3-11-2-7(13)4-12/h1,5,7,11-13H,2-4H2,(H2,10,14)
InChIKeyPEQCHKZUXTYTQK-UHFFFAOYSA-N
XLogP-0.71
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]thiophene-3-carboxamide
CID 103876396
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
CID 79614227
5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
CID 79613485
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79613567

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide (CID 79614139) is 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCC(O)CO)c1.
What is the InChIKey of 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide?
The InChIKey is PEQCHKZUXTYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-9(14)6-1-8(15-5-6)3-11-2-7(13)4-12/h1,5,7,11-13H,2-4H2,(H2,10,14).
What are the key properties of 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide?
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).