N-(1,1-dioxothiolan-2-yl)formamide

C5H9NO3S — CID 173197023

IUPACN-(1,1-dioxothiolan-2-yl)formamide
SMILESO=CNC1CCCS1(=O)=O
InChIInChI=1S/C5H9NO3S/c7-4-6-5-2-1-3-10(5,8)9/h4-5H,1-3H2,(H,6,7)
InChIKeyDJMQICVAQSTKFC-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.73
Rot. Bonds2

About N-(1,1-dioxothiolan-2-yl)formamide

N-(1,1-dioxothiolan-2-yl)formamide (PubChem CID 173197023) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-2-yl)formamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-2-yl)formamide
PubChem CID173197023
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC NameN-(1,1-dioxothiolan-2-yl)formamide
SMILESO=CNC1CCCS1(=O)=O
InChIInChI=1S/C5H9NO3S/c7-4-6-5-2-1-3-10(5,8)9/h4-5H,1-3H2,(H,6,7)
InChIKeyDJMQICVAQSTKFC-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
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

N-(1,1-dioxidotetrahydrothiophen-3-yl)formamide
CID 3674810
N-(3-methylsulfonylpropyl)formamide
CID 53860905
N-[(1,1-dioxothiolan-3-yl)methyl]formamide
CID 57038922
N-(thiolan-2-yl)formamide
CID 87549865
N-(1-oxothiolan-3-yl)formamide
CID 144536008
N-(1,1-dioxothiolan-2-yl)propanamide
CID 150199244
N-(1,1-dioxothiolan-2-yl)acetamide
CID 154342338
N-(1-methylsulfinylpropyl)formamide
CID 173099513
N-(1-methylsulfonylpropyl)formamide
CID 173099932
N-(1,1-dihydroxythiolan-2-yl)formamide
CID 173197022
N-[(3S)-1,1-dioxothiolan-3-yl]formamide
CID 7059064
N-[(3R)-1,1-dioxothiolan-3-yl]formamide
CID 7059065

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-2-yl)formamide?
The IUPAC name of N-(1,1-dioxothiolan-2-yl)formamide (CID 173197023) is N-(1,1-dioxothiolan-2-yl)formamide.
What is the SMILES notation for N-(1,1-dioxothiolan-2-yl)formamide?
The canonical SMILES for N-(1,1-dioxothiolan-2-yl)formamide is O=CNC1CCCS1(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-2-yl)formamide?
The InChIKey is DJMQICVAQSTKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3S/c7-4-6-5-2-1-3-10(5,8)9/h4-5H,1-3H2,(H,6,7).
What are the key properties of N-(1,1-dioxothiolan-2-yl)formamide?
N-(1,1-dioxothiolan-2-yl)formamide has a molecular weight of 163.20 g/mol, XLogP of -0.73, 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-2-yl)formamide is sourced from PubChem (CID 173197023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).