4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide

C11H22N2O3S — CID 113490476

IUPAC4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
SMILESCC(CCNC(=O)C1(C)COCC1N)S(C)=O
InChIInChI=1S/C11H22N2O3S/c1-8(17(3)15)4-5-13-10(14)11(2)7-16-6-9(11)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyZTYWNDULZDWEDU-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.38
Rot. Bonds5

About 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide

4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide (PubChem CID 113490476) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
PubChem CID113490476
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide
SMILESCC(CCNC(=O)C1(C)COCC1N)S(C)=O
InChIInChI=1S/C11H22N2O3S/c1-8(17(3)15)4-5-13-10(14)11(2)7-16-6-9(11)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyZTYWNDULZDWEDU-UHFFFAOYSA-N
XLogP-0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide (CID 113490476) is 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide is CC(CCNC(=O)C1(C)COCC1N)S(C)=O.
What is the InChIKey of 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide?
The InChIKey is ZTYWNDULZDWEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8(17(3)15)4-5-13-10(14)11(2)7-16-6-9(11)12/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide has a molecular weight of 262.37 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(3-methylsulfinylbutyl)oxolane-3-carboxamide is sourced from PubChem (CID 113490476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).