(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide

C10H10N2O2S — CID 41427173

IUPAC(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
SMILESN#Cc1ccsc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C10H10N2O2S/c11-6-7-3-5-15-10(7)12-9(13)8-2-1-4-14-8/h3,5,8H,1-2,4H2,(H,12,13)/t8-/m0/s1
InChIKeyQHVZOBVASNRHRU-QMMMGPOBSA-N
MW222.27 g/mol
LogP1.74
Rot. Bonds2

About (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide

(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide (PubChem CID 41427173) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
PubChem CID41427173
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
SMILESN#Cc1ccsc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C10H10N2O2S/c11-6-7-3-5-15-10(7)12-9(13)8-2-1-4-14-8/h3,5,8H,1-2,4H2,(H,12,13)/t8-/m0/s1
InChIKeyQHVZOBVASNRHRU-QMMMGPOBSA-N
XLogP1.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
CID 8729981
N-(3-cyanothiophen-2-yl)-3-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 32697229
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
trans-(1S,2S)-2-[(3-cyanothiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623425
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(3-cyanothiophen-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51072876
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271015
N-(3-cyanothiophen-2-yl)-2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271014
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
(2S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
CID 673629
(2R)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide
CID 903158

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide (CID 41427173) is (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide is N#Cc1ccsc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is QHVZOBVASNRHRU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10N2O2S/c11-6-7-3-5-15-10(7)12-9(13)8-2-1-4-14-8/h3,5,8H,1-2,4H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide?
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 41427173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).