5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide

C10H16N2O3S — CID 79614227

IUPAC5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(O)(CO)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H16N2O3S/c1-10(15,6-13)5-12-3-8-2-7(4-16-8)9(11)14/h2,4,12-13,15H,3,5-6H2,1H3,(H2,11,14)
InChIKeyBJGFROXTUNTMOT-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.32
Rot. Bonds6

About 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide

5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79614227) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79614227
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(O)(CO)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C10H16N2O3S/c1-10(15,6-13)5-12-3-8-2-7(4-16-8)9(11)14/h2,4,12-13,15H,3,5-6H2,1H3,(H2,11,14)
InChIKeyBJGFROXTUNTMOT-UHFFFAOYSA-N
XLogP-0.32
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]thiophene-3-carboxylic acid
CID 106145745
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]thiophene-3-carboxylic acid
CID 114164019
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
CID 81463264
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
CID 104923448
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
tert-butyl N-[(E)-4-[(4-carbamoylthiophen-2-yl)methylamino]but-2-enyl]carbamate
CID 107252829

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide (CID 79614227) is 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide is CC(O)(CO)CNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is BJGFROXTUNTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(15,6-13)5-12-3-8-2-7(4-16-8)9(11)14/h2,4,12-13,15H,3,5-6H2,1H3,(H2,11,14).
What are the key properties of 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).