N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide

C9H16N2O2S — CID 62093159

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
SMILESCC(CC(N)=S)NC(=O)C1CCOC1
InChIInChI=1S/C9H16N2O2S/c1-6(4-8(10)14)11-9(12)7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyMNQDRWNRMRNYDI-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.20
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide

N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide (PubChem CID 62093159) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
PubChem CID62093159
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
SMILESCC(CC(N)=S)NC(=O)C1CCOC1
InChIInChI=1S/C9H16N2O2S/c1-6(4-8(10)14)11-9(12)7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyMNQDRWNRMRNYDI-UHFFFAOYSA-N
XLogP0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.20
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

3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 107859858
N-[1-(4-hydroxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 75384504
N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
CID 62668088
N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
N-[2-(methylamino)propyl]oxolane-3-carboxamide
CID 103512805

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide (CID 62093159) is N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide is CC(CC(N)=S)NC(=O)C1CCOC1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide?
The InChIKey is MNQDRWNRMRNYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-6(4-8(10)14)11-9(12)7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 62093159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).