N-(thiolan-3-ylmethyl)acetamide

C7H13NOS — CID 107298403

IUPACN-(thiolan-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CCSC1
InChIInChI=1S/C7H13NOS/c1-6(9)8-4-7-2-3-10-5-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyJDFNRZVSMJZZIY-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.88
Rot. Bonds2

About N-(thiolan-3-ylmethyl)acetamide

N-(thiolan-3-ylmethyl)acetamide (PubChem CID 107298403) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)acetamide
PubChem CID107298403
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-(thiolan-3-ylmethyl)acetamide
SMILESCC(=O)NCC1CCSC1
InChIInChI=1S/C7H13NOS/c1-6(9)8-4-7-2-3-10-5-7/h7H,2-5H2,1H3,(H,8,9)
InChIKeyJDFNRZVSMJZZIY-UHFFFAOYSA-N
XLogP0.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)acetamide?
The IUPAC name of N-(thiolan-3-ylmethyl)acetamide (CID 107298403) is N-(thiolan-3-ylmethyl)acetamide.
What is the SMILES notation for N-(thiolan-3-ylmethyl)acetamide?
The canonical SMILES for N-(thiolan-3-ylmethyl)acetamide is CC(=O)NCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)acetamide?
The InChIKey is JDFNRZVSMJZZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-6(9)8-4-7-2-3-10-5-7/h7H,2-5H2,1H3,(H,8,9).
What are the key properties of N-(thiolan-3-ylmethyl)acetamide?
N-(thiolan-3-ylmethyl)acetamide has a molecular weight of 159.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)acetamide is sourced from PubChem (CID 107298403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).