N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

C12H18N2O3S — CID 75536590

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O
InChIInChI=1S/C12H18N2O3S/c1-14(2)8-7-17-9(11(8)15)6-13-12(16)10-4-3-5-18-10/h3-5,8-9,11,15H,6-7H2,1-2H3,(H,13,16)/t8-,9-,11+/m1/s1
InChIKeyNURCBIQEPKXAJF-KKZNHRDASA-N
MW270.35 g/mol
LogP0.17
Rot. Bonds4

About N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536590) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536590
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O
InChIInChI=1S/C12H18N2O3S/c1-14(2)8-7-17-9(11(8)15)6-13-12(16)10-4-3-5-18-10/h3-5,8-9,11,15H,6-7H2,1-2H3,(H,13,16)/t8-,9-,11+/m1/s1
InChIKeyNURCBIQEPKXAJF-KKZNHRDASA-N
XLogP0.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
N-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]thiophene-2-carboxamide
CID 168285079
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 9814504
5-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiophene-2-carboxamide
CID 11551228
N-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]thiophene-2-carboxamide
CID 71770816
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367078
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367080
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75367081
N-[[(2R,3S,4R)-4-[bis(thiophen-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536489
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 75536591

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536590) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is CN(C)[C@@H]1CO[C@H](CNC(=O)c2cccs2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NURCBIQEPKXAJF-KKZNHRDASA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(2)8-7-17-9(11(8)15)6-13-12(16)10-4-3-5-18-10/h3-5,8-9,11,15H,6-7H2,1-2H3,(H,13,16)/t8-,9-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).