N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide

C13H24N2O4S — CID 113056020

IUPACN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-3-4-5-13(17)14-7-8-15(11(2)16)12-6-9-20(18,19)10-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyUOJNAHARHAYXOB-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.33
Rot. Bonds7

About N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide

N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide (PubChem CID 113056020) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
PubChem CID113056020
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O4S/c1-3-4-5-13(17)14-7-8-15(11(2)16)12-6-9-20(18,19)10-12/h12H,3-10H2,1-2H3,(H,14,17)
InChIKeyUOJNAHARHAYXOB-UHFFFAOYSA-N
XLogP0.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(cyclopentyl)amino]ethyl]pentanamide
CID 113052774
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113056079
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-butyl-N-methylpropanamide
CID 113121639
N-[2-[[(3R)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]propanamide
CID 99977281
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113056066
methyl 3-[[(3S)-1,1-dioxothiolan-3-yl]-pentanoylamino]propanoate
CID 39884771
N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60938487
N-butyl-3-(tert-butylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60940286
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide?
The IUPAC name of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide (CID 113056020) is N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide?
The canonical SMILES for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide?
The InChIKey is UOJNAHARHAYXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-3-4-5-13(17)14-7-8-15(11(2)16)12-6-9-20(18,19)10-12/h12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide?
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide has a molecular weight of 304.41 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]pentanamide is sourced from PubChem (CID 113056020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).