N-[(3S)-1,1-dioxothiolan-3-yl]formamide

C5H9NO3S — CID 7059064

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]formamide
SMILESO=CN[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-5-1-2-10(8,9)3-5/h4-5H,1-3H2,(H,6,7)/t5-/m0/s1
InChIKeyQZDVRJFYQSCEKN-YFKPBYRVSA-N
MW163.20 g/mol
LogP-1.08
Rot. Bonds2

About N-[(3S)-1,1-dioxothiolan-3-yl]formamide

N-[(3S)-1,1-dioxothiolan-3-yl]formamide (PubChem CID 7059064) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]formamide
PubChem CID7059064
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]formamide
SMILESO=CN[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H9NO3S/c7-4-6-5-1-2-10(8,9)3-5/h4-5H,1-3H2,(H,6,7)/t5-/m0/s1
InChIKeyQZDVRJFYQSCEKN-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]formamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]formamide (CID 7059064) is N-[(3S)-1,1-dioxothiolan-3-yl]formamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]formamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]formamide is O=CN[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]formamide?
The InChIKey is QZDVRJFYQSCEKN-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]formamide?
N-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]formamide is sourced from PubChem (CID 7059064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).