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

C10H20N2O4S — CID 54870794

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
SMILESCC(N)CC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(11)6-10(14)12(3-4-13)9-2-5-17(15,16)7-9/h8-9,13H,2-7,11H2,1H3
InChIKeyANUGMDIIRPWXOS-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.27
Rot. Bonds5

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

3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide (PubChem CID 54870794) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
PubChem CID54870794
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide
SMILESCC(N)CC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20N2O4S/c1-8(11)6-10(14)12(3-4-13)9-2-5-17(15,16)7-9/h8-9,13H,2-7,11H2,1H3
InChIKeyANUGMDIIRPWXOS-UHFFFAOYSA-N
XLogP-1.27
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide (CID 54870794) is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide is CC(N)CC(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is ANUGMDIIRPWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(11)6-10(14)12(3-4-13)9-2-5-17(15,16)7-9/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide?
3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 264.35 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 54870794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).