2-[(1,1-dioxothian-4-yl)amino]propanamide

C8H16N2O3S — CID 43545283

IUPAC2-[(1,1-dioxothian-4-yl)amino]propanamide
SMILESCC(NC1CCS(=O)(=O)CC1)C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(8(9)11)10-7-2-4-14(12,13)5-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyNAHFVRPRJFUGSC-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.97
Rot. Bonds3

About 2-[(1,1-dioxothian-4-yl)amino]propanamide

2-[(1,1-dioxothian-4-yl)amino]propanamide (PubChem CID 43545283) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]propanamide
PubChem CID43545283
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]propanamide
SMILESCC(NC1CCS(=O)(=O)CC1)C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(8(9)11)10-7-2-4-14(12,13)5-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyNAHFVRPRJFUGSC-UHFFFAOYSA-N
XLogP-0.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(cyclopropylamino)propanamide
CID 28835909
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanamide
CID 43545311
methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
CID 103239258
(2R)-2-[(3,3-dimethylcyclobutyl)amino]propanamide
CID 130678752
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
CID 106170603

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]propanamide?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]propanamide (CID 43545283) is 2-[(1,1-dioxothian-4-yl)amino]propanamide.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]propanamide?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]propanamide is CC(NC1CCS(=O)(=O)CC1)C(N)=O.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]propanamide?
The InChIKey is NAHFVRPRJFUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(8(9)11)10-7-2-4-14(12,13)5-3-7/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]propanamide?
2-[(1,1-dioxothian-4-yl)amino]propanamide has a molecular weight of 220.29 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]propanamide is sourced from PubChem (CID 43545283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).