2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide

C9H18N2O2S — CID 106495623

IUPAC2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESNC(=O)C(N)CCSCC1CCCO1
InChIInChI=1S/C9H18N2O2S/c10-8(9(11)12)3-5-14-6-7-2-1-4-13-7/h7-8H,1-6,10H2,(H2,11,12)
InChIKeyZLIUUGWYLCZCLH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.10
Rot. Bonds6

About 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide

2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide (PubChem CID 106495623) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide
PubChem CID106495623
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESNC(=O)C(N)CCSCC1CCCO1
InChIInChI=1S/C9H18N2O2S/c10-8(9(11)12)3-5-14-6-7-2-1-4-13-7/h7-8H,1-6,10H2,(H2,11,12)
InChIKeyZLIUUGWYLCZCLH-UHFFFAOYSA-N
XLogP0.10
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The IUPAC name of 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide (CID 106495623) is 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide.
What is the SMILES notation for 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The canonical SMILES for 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide is NC(=O)C(N)CCSCC1CCCO1.
What is the InChIKey of 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The InChIKey is ZLIUUGWYLCZCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-8(9(11)12)3-5-14-6-7-2-1-4-13-7/h7-8H,1-6,10H2,(H2,11,12).
What are the key properties of 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide?
2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide has a molecular weight of 218.32 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxolan-2-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 106495623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).