N-(3-methylthiolan-3-yl)acetamide

C7H13NOS — CID 129016909

IUPACN-(3-methylthiolan-3-yl)acetamide
SMILESCC(=O)NC1(C)CCSC1
InChIInChI=1S/C7H13NOS/c1-6(9)8-7(2)3-4-10-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyBFQFIJMFWILFLQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.02
Rot. Bonds1

About N-(3-methylthiolan-3-yl)acetamide

N-(3-methylthiolan-3-yl)acetamide (PubChem CID 129016909) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(3-methylthiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylthiolan-3-yl)acetamide
PubChem CID129016909
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-(3-methylthiolan-3-yl)acetamide
SMILESCC(=O)NC1(C)CCSC1
InChIInChI=1S/C7H13NOS/c1-6(9)8-7(2)3-4-10-5-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyBFQFIJMFWILFLQ-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylthiolan-3-yl)acetamide?
The IUPAC name of N-(3-methylthiolan-3-yl)acetamide (CID 129016909) is N-(3-methylthiolan-3-yl)acetamide.
What is the SMILES notation for N-(3-methylthiolan-3-yl)acetamide?
The canonical SMILES for N-(3-methylthiolan-3-yl)acetamide is CC(=O)NC1(C)CCSC1.
What is the InChIKey of N-(3-methylthiolan-3-yl)acetamide?
The InChIKey is BFQFIJMFWILFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-6(9)8-7(2)3-4-10-5-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(3-methylthiolan-3-yl)acetamide?
N-(3-methylthiolan-3-yl)acetamide has a molecular weight of 159.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylthiolan-3-yl)acetamide is sourced from PubChem (CID 129016909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).