4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide

C11H20N2O2S — CID 80738360

IUPAC4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
SMILESCC1(CNC(=O)C2COCC2N)CCCS1
InChIInChI=1S/C11H20N2O2S/c1-11(3-2-4-16-11)7-13-10(14)8-5-15-6-9(8)12/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyOKYBVFUEPOOXRL-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.36
Rot. Bonds3

About 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide

4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 80738360) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
PubChem CID80738360
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide
SMILESCC1(CNC(=O)C2COCC2N)CCCS1
InChIInChI=1S/C11H20N2O2S/c1-11(3-2-4-16-11)7-13-10(14)8-5-15-6-9(8)12/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyOKYBVFUEPOOXRL-UHFFFAOYSA-N
XLogP0.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide (CID 80738360) is 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide is CC1(CNC(=O)C2COCC2N)CCCS1.
What is the InChIKey of 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is OKYBVFUEPOOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(3-2-4-16-11)7-13-10(14)8-5-15-6-9(8)12/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide?
4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methylthiolan-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 80738360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).