N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide

C12H17NO2S2 — CID 86265175

IUPACN-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCSC1CCOCC1)c1ccsc1
InChIInChI=1S/C12H17NO2S2/c14-12(10-3-7-16-9-10)13-4-8-17-11-1-5-15-6-2-11/h3,7,9,11H,1-2,4-6,8H2,(H,13,14)
InChIKeyOENNAOURSQVURA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide

N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide (PubChem CID 86265175) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide
PubChem CID86265175
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC NameN-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCSC1CCOCC1)c1ccsc1
InChIInChI=1S/C12H17NO2S2/c14-12(10-3-7-16-9-10)13-4-8-17-11-1-5-15-6-2-11/h3,7,9,11H,1-2,4-6,8H2,(H,13,14)
InChIKeyOENNAOURSQVURA-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiophen-3-ylcarbonyl)piperazine
CID 12289911
N-(4-(piperidin-1-yl)but-2-yn-1-yl)thiophene-3-carboxamide
CID 71792650
N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 71796134
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]thiophene-3-carboxamide
CID 71916049
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
CID 71977244
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 76147130
Sdccgsbi-0662837.P001
CID 118740481
5-(Thiophene-3-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201368
N-[(Oxan-4-YL)methyl]thiophene-3-carboxamide
CID 110875679
N-[12-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471379
N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471394
N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471399

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide (CID 86265175) is N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide is O=C(NCCSC1CCOCC1)c1ccsc1.
What is the InChIKey of N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide?
The InChIKey is OENNAOURSQVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c14-12(10-3-7-16-9-10)13-4-8-17-11-1-5-15-6-2-11/h3,7,9,11H,1-2,4-6,8H2,(H,13,14).
What are the key properties of N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide?
N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylsulfanyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 86265175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).