3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride

C7H15ClN2O3S — CID 42943455

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S.ClH/c8-3-1-7(10)9-6-2-4-13(11,12)5-6;/h6H,1-5,8H2,(H,9,10);1H
InChIKeyVMTAVJWTMULWEU-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.94
Rot. Bonds3

About 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride

3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride (PubChem CID 42943455) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
PubChem CID42943455
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
SMILESCl.NCCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S.ClH/c8-3-1-7(10)9-6-2-4-13(11,12)5-6;/h6H,1-5,8H2,(H,9,10);1H
InChIKeyVMTAVJWTMULWEU-UHFFFAOYSA-N
XLogP-0.94
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-(1,1-dioxothiolan-3-yl)heptanamide
CID 24710783
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
N-(1,1-dioxothiolan-3-yl)-4-pyrrol-1-ylbutanamide
CID 128963547
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N-(1,1-dioxothiolan-3-yl)-3-phenylsulfanylpropanamide
CID 51073754
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride (CID 42943455) is 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride is Cl.NCCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride?
The InChIKey is VMTAVJWTMULWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.ClH/c8-3-1-7(10)9-6-2-4-13(11,12)5-6;/h6H,1-5,8H2,(H,9,10);1H.
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride?
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 42943455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).