N-(1,1-dioxothiolan-3-yl)formamide

C5H9NO3S — CID 3674810

IUPACN-(1,1-dioxothiolan-3-yl)formamide
SMILESO=CNC1CCS(=O)(=O)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-5-1-2-10(8,9)3-5/h4-5H,1-3H2,(H,6,7)
InChIKeyQZDVRJFYQSCEKN-UHFFFAOYSA-N
MW163.20 g/mol
LogP-1.08
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)formamide

N-(1,1-dioxothiolan-3-yl)formamide (PubChem CID 3674810) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)formamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)formamide
PubChem CID3674810
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)formamide
SMILESO=CNC1CCS(=O)(=O)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-5-1-2-10(8,9)3-5/h4-5H,1-3H2,(H,6,7)
InChIKeyQZDVRJFYQSCEKN-UHFFFAOYSA-N
XLogP-1.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamate
CID 2999519
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylurea
CID 274896
(1,1-Dioxo-1lambda6-thiolan-3-yl)urea
CID 3091620
N-(1,1-dioxothiolan-3-yl)acetamide
CID 237864
(1,1-Dioxothiolan-3-yl)carbamic acid
CID 4621170
N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7114857
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(3-methylsulfonylpropyl)formamide
CID 53860905
N-[(1,1-dioxothiolan-3-yl)methyl]formamide
CID 57038922
sodium (2S)-2-formamido-4-methylsulfanylbutane-1-sulfonate
CID 58388316
N-(1,1-dioxothiolan-3-yl)propanamide
CID 60675991
N-(3-methyl-1,1-dioxothiolan-3-yl)formamide
CID 64991072

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)formamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)formamide (CID 3674810) is N-(1,1-dioxothiolan-3-yl)formamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)formamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)formamide is O=CNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)formamide?
The InChIKey is QZDVRJFYQSCEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-4-6-5-1-2-10(8,9)3-5/h4-5H,1-3H2,(H,6,7).
What are the key properties of N-(1,1-dioxothiolan-3-yl)formamide?
N-(1,1-dioxothiolan-3-yl)formamide has a molecular weight of 163.20 g/mol, XLogP of -1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)formamide is sourced from PubChem (CID 3674810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).