4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide

C10H20N2O4S — CID 54870766

IUPAC4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
SMILESNCCCC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c11-4-1-2-10(14)12(5-6-13)9-3-7-17(15,16)8-9/h9,13H,1-8,11H2
InChIKeyNGCPCARFHFWBIX-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds6

About 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide

4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide (PubChem CID 54870766) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
PubChem CID54870766
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
SMILESNCCCC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c11-4-1-2-10(14)12(5-6-13)9-3-7-17(15,16)8-9/h9,13H,1-8,11H2
InChIKeyNGCPCARFHFWBIX-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide (CID 54870766) is 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide is NCCCC(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is NGCPCARFHFWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-4-1-2-10(14)12(5-6-13)9-3-7-17(15,16)8-9/h9,13H,1-8,11H2.
What are the key properties of 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 264.35 g/mol, XLogP of -1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 54870766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).