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

C6H11NO3S — CID 57038922

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]formamide
SMILESO=CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c8-5-7-3-6-1-2-11(9,10)4-6/h5-6H,1-4H2,(H,7,8)
InChIKeyHZYZMKRMUZTLCR-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.83
Rot. Bonds3

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

N-[(1,1-dioxothiolan-3-yl)methyl]formamide (PubChem CID 57038922) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]formamide
PubChem CID57038922
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]formamide
SMILESO=CNCC1CCS(=O)(=O)C1
InChIInChI=1S/C6H11NO3S/c8-5-7-3-6-1-2-11(9,10)4-6/h5-6H,1-4H2,(H,7,8)
InChIKeyHZYZMKRMUZTLCR-UHFFFAOYSA-N
XLogP-0.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.83
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-((thiolan-3-yl)methyl)formamide
CID 107298402
N-(1,1-dioxidotetrahydrothiophen-3-yl)formamide
CID 3674810
N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 49725406
N-(3-methyl-1,1-dioxothiolan-3-yl)formamide
CID 64991072
N-[(Tetrahydro-1,1-dioxido-3-thienyl)methyl]carbamic chloride
CID 130221550
(1,1-Dioxothiolan-3-yl)methylcarbamic acid
CID 140514338
N-[(1,1-dioxothietan-3-yl)methyl]formamide
CID 144535995
(1,1-Dioxothiolan-3-yl)methyl-methanidylazanium
CID 155624923
N-(1,1-dioxothiolan-2-yl)formamide
CID 173197023
(1,1-Dioxothiolan-3-yl)methylurea
CID 3593643
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-3-yl)methyl]formamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]formamide (CID 57038922) is N-[(1,1-dioxothiolan-3-yl)methyl]formamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]formamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]formamide is O=CNCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]formamide?
The InChIKey is HZYZMKRMUZTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S/c8-5-7-3-6-1-2-11(9,10)4-6/h5-6H,1-4H2,(H,7,8).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]formamide?
N-[(1,1-dioxothiolan-3-yl)methyl]formamide has a molecular weight of 177.22 g/mol, XLogP of -0.83, 3 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)methyl]formamide is sourced from PubChem (CID 57038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).