N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

C12H22N2O4S — CID 43054119

IUPACN-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-12(2,3)11(16)13-6-4-10(15)14-9-5-7-19(17,18)8-9/h9H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyHFHUYJUFEFOOBW-UHFFFAOYSA-N
MW290.38 g/mol
LogP-0.16
Rot. Bonds4

About N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 43054119) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID43054119
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H22N2O4S/c1-12(2,3)11(16)13-6-4-10(15)14-9-5-7-19(17,18)8-9/h9H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyHFHUYJUFEFOOBW-UHFFFAOYSA-N
XLogP-0.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 43054119) is N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is HFHUYJUFEFOOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-12(2,3)11(16)13-6-4-10(15)14-9-5-7-19(17,18)8-9/h9H,4-8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 290.38 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43054119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).