N-(thian-4-ylmethyl)acetamide

C8H15NOS — CID 91415666

IUPACN-(thian-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCSCC1
InChIInChI=1S/C8H15NOS/c1-7(10)9-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyXLBYEMSRLYDOHZ-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.27
Rot. Bonds2

About N-(thian-4-ylmethyl)acetamide

N-(thian-4-ylmethyl)acetamide (PubChem CID 91415666) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(thian-4-ylmethyl)acetamide
PubChem CID91415666
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-(thian-4-ylmethyl)acetamide
SMILESCC(=O)NCC1CCSCC1
InChIInChI=1S/C8H15NOS/c1-7(10)9-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyXLBYEMSRLYDOHZ-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
N-((thiolan-3-yl)methyl)acetamide
CID 107298403
2,2-difluoro-N-(thian-4-ylmethyl)acetamide
CID 103516063
2,2,3,3-tetrafluoro-N-(thian-4-ylmethyl)propanamide
CID 103733806
2,2,3,3,3-pentafluoro-N-(thian-4-ylmethyl)propanamide
CID 108095540
2,2,2-trifluoro-N-(thian-4-ylmethyl)acetamide
CID 115625197
N-(2,2,2-trifluoroethyl)thiane-4-carboxamide
CID 126768674
N-(2,2-difluoroethyl)thiane-4-carboxamide
CID 126782152
2-fluoro-2-methyl-N-(thian-4-ylmethyl)propanamide
CID 130165160
2-fluoro-2-methyl-N-(thian-3-ylmethyl)propanamide
CID 130914244
2,2,2-trifluoro-N-(thian-3-ylmethyl)acetamide
CID 131008136
2,2,2-trifluoro-N-[2-(thian-4-yl)ethyl]acetamide
CID 163736316

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-ylmethyl)acetamide?
The IUPAC name of N-(thian-4-ylmethyl)acetamide (CID 91415666) is N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for N-(thian-4-ylmethyl)acetamide is CC(=O)NCC1CCSCC1.
What is the InChIKey of N-(thian-4-ylmethyl)acetamide?
The InChIKey is XLBYEMSRLYDOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7(10)9-6-8-2-4-11-5-3-8/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(thian-4-ylmethyl)acetamide?
N-(thian-4-ylmethyl)acetamide has a molecular weight of 173.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 91415666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).