N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide

C15H26N2O2S — CID 62213540

IUPACN-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCCCCC1
InChIInChI=1S/C15H26N2O2S/c16-14(20)15(9-5-2-1-3-6-10-15)17-13(18)12-8-4-7-11-19-12/h12H,1-11H2,(H2,16,20)(H,17,18)
InChIKeySWYZFPUYSNQWSK-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.44
Rot. Bonds3

About N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide

N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide (PubChem CID 62213540) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
PubChem CID62213540
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCCCCC1
InChIInChI=1S/C15H26N2O2S/c16-14(20)15(9-5-2-1-3-6-10-15)17-13(18)12-8-4-7-11-19-12/h12H,1-11H2,(H2,16,20)(H,17,18)
InChIKeySWYZFPUYSNQWSK-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide (CID 62213540) is N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide is NC(=S)C1(NC(=O)C2CCCCO2)CCCCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide?
The InChIKey is SWYZFPUYSNQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c16-14(20)15(9-5-2-1-3-6-10-15)17-13(18)12-8-4-7-11-19-12/h12H,1-11H2,(H2,16,20)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide?
N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide has a molecular weight of 298.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide is sourced from PubChem (CID 62213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).