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

C8H16N2O2S — CID 64892412

IUPAC3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide
SMILESCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O2S/c1-13-5-3-10-7(11)8(9)2-4-12-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyUYKGUHGJKUQPRB-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.42
Rot. Bonds4

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

3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 64892412) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide
PubChem CID64892412
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide
SMILESCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C8H16N2O2S/c1-13-5-3-10-7(11)8(9)2-4-12-6-8/h2-6,9H2,1H3,(H,10,11)
InChIKeyUYKGUHGJKUQPRB-UHFFFAOYSA-N
XLogP-0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(trifluoromethylsulfanyl)ethyl]oxolane-3-carboxamide
CID 106428217
3-amino-N-propyloxolane-3-carboxamide
CID 64891873
3-amino-N-ethyloxolane-3-carboxamide
CID 64892683
(2S)-2-amino-4-methylsulfanyl-N-(oxolan-3-ylmethyl)butanamide
CID 61178846
3-amino-N-[2-(dimethylamino)-2-methylpropyl]oxolane-3-carboxamide
CID 64890983
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
3-amino-N-hexan-3-yloxolane-3-carboxamide
CID 64891018
3-amino-N-pentyloxolane-3-carboxamide
CID 64891083
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 64891101
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]oxolane-3-carboxamide
CID 64891102
3-amino-N-[1-oxo-1-(propylamino)propan-2-yl]oxolane-3-carboxamide
CID 64891115
3-amino-N-(2-methylsulfonylethyl)oxolane-3-carboxamide
CID 64891137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide (CID 64892412) is 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide is CSCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is UYKGUHGJKUQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13-5-3-10-7(11)8(9)2-4-12-6-8/h2-6,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide?
3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 204.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfanylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).