N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide

C15H23N3O3S — CID 125417244

IUPACN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
SMILESCN1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-4-6-18(7-5-17)9-12-14(19)11(10-21-12)16-15(20)13-3-2-8-22-13/h2-3,8,11-12,14,19H,4-7,9-10H2,1H3,(H,16,20)/t11-,12-,14+/m0/s1
InChIKeyLHCLPIHRCCURBS-SGMGOOAPSA-N
MW325.43 g/mol
LogP-0.15
Rot. Bonds4

About N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide

N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide (PubChem CID 125417244) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
PubChem CID125417244
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
SMILESCN1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1
InChIInChI=1S/C15H23N3O3S/c1-17-4-6-18(7-5-17)9-12-14(19)11(10-21-12)16-15(20)13-3-2-8-22-13/h2-3,8,11-12,14,19H,4-7,9-10H2,1H3,(H,16,20)/t11-,12-,14+/m0/s1
InChIKeyLHCLPIHRCCURBS-SGMGOOAPSA-N
XLogP-0.15
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
CID 125416955
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536598
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 162798738
N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzamide
CID 163072842
(2S,3R,4S)-4-[(1-methylimidazol-2-yl)methylamino]-2-[(4-methylpiperazin-1-yl)methyl]oxolan-3-ol
CID 125417665
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
CID 162844857
N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548401
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 110127708
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one;dihydrochloride
CID 12739150
N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide (CID 125417244) is N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide is CN1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1.
What is the InChIKey of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is LHCLPIHRCCURBS-SGMGOOAPSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-17-4-6-18(7-5-17)9-12-14(19)11(10-21-12)16-15(20)13-3-2-8-22-13/h2-3,8,11-12,14,19H,4-7,9-10H2,1H3,(H,16,20)/t11-,12-,14+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide?
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 125417244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).