N-(2,5-dimethylthian-4-yl)acetamide

C9H17NOS — CID 121227398

IUPACN-(2,5-dimethylthian-4-yl)acetamide
SMILESCC(=O)NC1CC(C)SCC1C
InChIInChI=1S/C9H17NOS/c1-6-5-12-7(2)4-9(6)10-8(3)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyKOONNPKTAJWRJB-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.65
Rot. Bonds1

About N-(2,5-dimethylthian-4-yl)acetamide

N-(2,5-dimethylthian-4-yl)acetamide (PubChem CID 121227398) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(2,5-dimethylthian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylthian-4-yl)acetamide
PubChem CID121227398
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(2,5-dimethylthian-4-yl)acetamide
SMILESCC(=O)NC1CC(C)SCC1C
InChIInChI=1S/C9H17NOS/c1-6-5-12-7(2)4-9(6)10-8(3)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyKOONNPKTAJWRJB-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-bicyclo[2.2.1]heptanyl)acetamide
CID 67204731
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
N-[(1S,2R,4S)-4-[[(1R,3R,4R)-4-acetamido-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]acetamide
CID 129426674
N-[(1S,2R)-2,4,4-trimethylcyclohexyl]acetamide
CID 162401417
N-(5-acetamido-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 21439703
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
CID 107237589
2-chloro-N-(5-methylthiolan-3-yl)acetamide
CID 130855431
2-bromo-N-(5-methylthiolan-3-yl)propanamide
CID 130827195
N-[(1R,2S)-2-chloro-4-methylcyclohexyl]acetamide
CID 166978311
5-(3-acetamido-4-methylthiolan-2-yl)pentanoic acid
CID 90446603
N-(1,4-dimethyl-1-oxidopyrrolidin-1-ium-3-yl)acetamide
CID 23557900
N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 144967477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylthian-4-yl)acetamide?
The IUPAC name of N-(2,5-dimethylthian-4-yl)acetamide (CID 121227398) is N-(2,5-dimethylthian-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylthian-4-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylthian-4-yl)acetamide is CC(=O)NC1CC(C)SCC1C.
What is the InChIKey of N-(2,5-dimethylthian-4-yl)acetamide?
The InChIKey is KOONNPKTAJWRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6-5-12-7(2)4-9(6)10-8(3)11/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(2,5-dimethylthian-4-yl)acetamide?
N-(2,5-dimethylthian-4-yl)acetamide has a molecular weight of 187.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylthian-4-yl)acetamide is sourced from PubChem (CID 121227398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).