N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

C14H19NO2S — CID 52571989

IUPACN-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-14(11-5-7-17-8-6-11)15(12-3-4-12)10-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10H2
InChIKeySSNKBFCYBWVOAZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide

N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (PubChem CID 52571989) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
PubChem CID52571989
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H19NO2S/c16-14(11-5-7-17-8-6-11)15(12-3-4-12)10-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10H2
InChIKeySSNKBFCYBWVOAZ-UHFFFAOYSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
(1S,6R)-6-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962163
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
(1R)-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 99873308
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452394
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide (CID 52571989) is N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is SSNKBFCYBWVOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(11-5-7-17-8-6-11)15(12-3-4-12)10-13-2-1-9-18-13/h1-2,9,11-12H,3-8,10H2.
What are the key properties of N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide?
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 52571989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).