(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide

C14H19NO2S — CID 95272165

IUPAC(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide
SMILESO=C(NCCSCc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(13-6-8-17-10-13)15-7-9-18-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,16)/t13-/m1/s1
InChIKeyQCYXBCMNFMDXGJ-CYBMUJFWSA-N
MW265.38 g/mol
LogP2.07
Rot. Bonds6

About (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide

(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 95272165) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide
PubChem CID95272165
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide
SMILESO=C(NCCSCc1ccccc1)[C@@H]1CCOC1
InChIInChI=1S/C14H19NO2S/c16-14(13-6-8-17-10-13)15-7-9-18-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,16)/t13-/m1/s1
InChIKeyQCYXBCMNFMDXGJ-CYBMUJFWSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
CID 100734487
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]cyclopropanecarboxamide
CID 78804949
1-(1,3-benzoxazol-2-yl)-N-(2-benzylsulfanylethyl)piperidine-4-carboxamide
CID 24606825
N-(2-benzylsulfanylethyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 99952674
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633459
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100773197
(3S)-N-(2-benzylsulfanylethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94149399
N-(2-benzylsulfanylethyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43920746
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide (CID 95272165) is (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide is O=C(NCCSCc1ccccc1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is QCYXBCMNFMDXGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(13-6-8-17-10-13)15-7-9-18-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,16)/t13-/m1/s1.
What are the key properties of (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide?
(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 95272165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).