2-amino-3-(1,1-dioxothiolan-2-yl)propanamide

C7H14N2O3S — CID 165485039

IUPAC2-amino-3-(1,1-dioxothiolan-2-yl)propanamide
SMILESNC(=O)C(N)CC1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c8-6(7(9)10)4-5-2-1-3-13(5,11)12/h5-6H,1-4,8H2,(H2,9,10)
InChIKeyOMXDOWHENKZOKZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.23
Rot. Bonds3

About 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide

2-amino-3-(1,1-dioxothiolan-2-yl)propanamide (PubChem CID 165485039) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1,1-dioxothiolan-2-yl)propanamide
PubChem CID165485039
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name2-amino-3-(1,1-dioxothiolan-2-yl)propanamide
SMILESNC(=O)C(N)CC1CCCS1(=O)=O
InChIInChI=1S/C7H14N2O3S/c8-6(7(9)10)4-5-2-1-3-13(5,11)12/h5-6H,1-4,8H2,(H2,9,10)
InChIKeyOMXDOWHENKZOKZ-UHFFFAOYSA-N
XLogP-1.23
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-cyclobutylpropanamide
CID 65458295
(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
(1,1-dioxothiolan-2-yl)methanamine
CID 55289628
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
CID 103930251
2-(3-bromo-2-methylpropyl)thiolane 1,1-dioxide
CID 165442715
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-methoxypropanamide
CID 81100896
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-enamide
CID 81039292
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104905375
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
2-amino-3-(oxan-4-yl)propanamide
CID 64990540

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide?
The IUPAC name of 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide (CID 165485039) is 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide?
The canonical SMILES for 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide is NC(=O)C(N)CC1CCCS1(=O)=O.
What is the InChIKey of 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide?
The InChIKey is OMXDOWHENKZOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-6(7(9)10)4-5-2-1-3-13(5,11)12/h5-6H,1-4,8H2,(H2,9,10).
What are the key properties of 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide?
2-amino-3-(1,1-dioxothiolan-2-yl)propanamide has a molecular weight of 206.27 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,1-dioxothiolan-2-yl)propanamide is sourced from PubChem (CID 165485039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).