N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide

C7H12N2O2S — CID 61276568

IUPACN-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
SMILESNC(=S)CNC(=O)C1CCOC1
InChIInChI=1S/C7H12N2O2S/c8-6(12)3-9-7(10)5-1-2-11-4-5/h5H,1-4H2,(H2,8,12)(H,9,10)
InChIKeySTLHMGNJYPHFIT-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.57
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide (PubChem CID 61276568) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
PubChem CID61276568
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
SMILESNC(=S)CNC(=O)C1CCOC1
InChIInChI=1S/C7H12N2O2S/c8-6(12)3-9-7(10)5-1-2-11-4-5/h5H,1-4H2,(H2,8,12)(H,9,10)
InChIKeySTLHMGNJYPHFIT-UHFFFAOYSA-N
XLogP-0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
CID 62668088
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
CID 62825062
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
(3S)-oxolane-3-carboxamide
CID 67048684

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide (CID 61276568) is N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide is NC(=S)CNC(=O)C1CCOC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide?
The InChIKey is STLHMGNJYPHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c8-6(12)3-9-7(10)5-1-2-11-4-5/h5H,1-4H2,(H2,8,12)(H,9,10).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide has a molecular weight of 188.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide is sourced from PubChem (CID 61276568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).