(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

C12H17NO3S — CID 95203771

IUPAC(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESO=C([C@@H]1CCOC1)N(CCO)Cc1cccs1
InChIInChI=1S/C12H17NO3S/c14-5-4-13(8-11-2-1-7-17-11)12(15)10-3-6-16-9-10/h1-2,7,10,14H,3-6,8-9H2/t10-/m1/s1
InChIKeyXDDGDWQXLHUGKR-SNVBAGLBSA-N
MW255.34 g/mol
LogP1.11
Rot. Bonds5

About (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 95203771) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
PubChem CID95203771
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESO=C([C@@H]1CCOC1)N(CCO)Cc1cccs1
InChIInChI=1S/C12H17NO3S/c14-5-4-13(8-11-2-1-7-17-11)12(15)10-3-6-16-9-10/h1-2,7,10,14H,3-6,8-9H2/t10-/m1/s1
InChIKeyXDDGDWQXLHUGKR-SNVBAGLBSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 71974354
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56861758
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 131932038
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
9-amino-N,N-bis(thiophen-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983874
(1S,5R)-N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 97060713
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (CID 95203771) is (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is O=C([C@@H]1CCOC1)N(CCO)Cc1cccs1.
What is the InChIKey of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is XDDGDWQXLHUGKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-5-4-13(8-11-2-1-7-17-11)12(15)10-3-6-16-9-10/h1-2,7,10,14H,3-6,8-9H2/t10-/m1/s1.
What are the key properties of (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 95203771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).