N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide

C8H15NO3S — CID 130676489

IUPACN-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCCC(=O)NC1CCS(=O)(=O)C1C
InChIInChI=1S/C8H15NO3S/c1-3-8(10)9-7-4-5-13(11,12)6(7)2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyMRLHRZLBLNCXPG-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.09
Rot. Bonds2

About N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide

N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide (PubChem CID 130676489) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
PubChem CID130676489
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
SMILESCCC(=O)NC1CCS(=O)(=O)C1C
InChIInChI=1S/C8H15NO3S/c1-3-8(10)9-7-4-5-13(11,12)6(7)2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyMRLHRZLBLNCXPG-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]thiourea
CID 130969391
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]propanamide
CID 41009565
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-(4-ethyl-1-methylpyrrolidin-3-yl)propanamide
CID 131175770
ethyl N-[(3R,4R)-1,1-dioxo-4-(propanoylamino)thiolan-3-yl]carbamate
CID 100825852
trans-(1R,2R)-2-(2-chlorophenyl)-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 128590354
2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
CID 82402699
N-cyclododecylpropanamide
CID 2784600
N-cyclodecylpropanamide
CID 122483649

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide (CID 130676489) is N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide is CCC(=O)NC1CCS(=O)(=O)C1C.
What is the InChIKey of N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is MRLHRZLBLNCXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-8(10)9-7-4-5-13(11,12)6(7)2/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide?
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 205.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 130676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).