N-(thiolan-3-ylmethyl)formamide

C6H11NOS — CID 107298402

IUPACN-(thiolan-3-ylmethyl)formamide
SMILESO=CNCC1CCSC1
InChIInChI=1S/C6H11NOS/c8-5-7-3-6-1-2-9-4-6/h5-6H,1-4H2,(H,7,8)
InChIKeyNCDNEUNGXCTNPS-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.49
Rot. Bonds3

About N-(thiolan-3-ylmethyl)formamide

N-(thiolan-3-ylmethyl)formamide (PubChem CID 107298402) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)formamide
PubChem CID107298402
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameN-(thiolan-3-ylmethyl)formamide
SMILESO=CNCC1CCSC1
InChIInChI=1S/C6H11NOS/c8-5-7-3-6-1-2-9-4-6/h5-6H,1-4H2,(H,7,8)
InChIKeyNCDNEUNGXCTNPS-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(thiolan-3-ylmethyl)formamide?
The IUPAC name of N-(thiolan-3-ylmethyl)formamide (CID 107298402) is N-(thiolan-3-ylmethyl)formamide.
What is the SMILES notation for N-(thiolan-3-ylmethyl)formamide?
The canonical SMILES for N-(thiolan-3-ylmethyl)formamide is O=CNCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)formamide?
The InChIKey is NCDNEUNGXCTNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c8-5-7-3-6-1-2-9-4-6/h5-6H,1-4H2,(H,7,8).
What are the key properties of N-(thiolan-3-ylmethyl)formamide?
N-(thiolan-3-ylmethyl)formamide has a molecular weight of 145.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)formamide is sourced from PubChem (CID 107298402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).