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

C12H24N2O4S — CID 62837790

IUPACN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-3-13-10(2)8-12(16)14(5-6-15)11-4-7-19(17,18)9-11/h10-11,13,15H,3-9H2,1-2H3
InChIKeyZKRORHPPGQWGBE-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.62
Rot. Bonds7

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

N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide (PubChem CID 62837790) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
PubChem CID62837790
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide
SMILESCCNC(C)CC(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O4S/c1-3-13-10(2)8-12(16)14(5-6-15)11-4-7-19(17,18)9-11/h10-11,13,15H,3-9H2,1-2H3
InChIKeyZKRORHPPGQWGBE-UHFFFAOYSA-N
XLogP-0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide (CID 62837790) is N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide is CCNC(C)CC(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
The InChIKey is ZKRORHPPGQWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-13-10(2)8-12(16)14(5-6-15)11-4-7-19(17,18)9-11/h10-11,13,15H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide?
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide has a molecular weight of 292.40 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 62837790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).