N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide

C15H20N2O2S — CID 114825574

IUPACN-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCC(N)=S)c2ccccc2)CO1
InChIInChI=1S/C15H20N2O2S/c1-11-9-12(10-19-11)15(18)17(8-7-14(16)20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,16,20)
InChIKeyIBCMKVFZBCJNSN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.12
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide (PubChem CID 114825574) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide
PubChem CID114825574
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCC(N)=S)c2ccccc2)CO1
InChIInChI=1S/C15H20N2O2S/c1-11-9-12(10-19-11)15(18)17(8-7-14(16)20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,16,20)
InChIKeyIBCMKVFZBCJNSN-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
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-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide (CID 114825574) is N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide is CC1CC(C(=O)N(CCC(N)=S)c2ccccc2)CO1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide?
The InChIKey is IBCMKVFZBCJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-9-12(10-19-11)15(18)17(8-7-14(16)20)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-5-methyl-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 114825574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).