N-propan-2-yl-2-(thian-4-yl)acetamide

C10H19NOS — CID 80708318

IUPACN-propan-2-yl-2-(thian-4-yl)acetamide
SMILESCC(C)NC(=O)CC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-8(2)11-10(12)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeySQSROJUNLPOXAA-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.04
Rot. Bonds3

About N-propan-2-yl-2-(thian-4-yl)acetamide

N-propan-2-yl-2-(thian-4-yl)acetamide (PubChem CID 80708318) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-propan-2-yl-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(thian-4-yl)acetamide
PubChem CID80708318
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-propan-2-yl-2-(thian-4-yl)acetamide
SMILESCC(C)NC(=O)CC1CCSCC1
InChIInChI=1S/C10H19NOS/c1-8(2)11-10(12)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeySQSROJUNLPOXAA-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
(2S)-3-methyl-2-[[2-(thian-4-yl)acetyl]amino]pentanoic acid
CID 83145180
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(thian-4-yl)acetamide
CID 103801422
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
N-(1-bromo-3-methoxypropan-2-yl)-2-(thian-4-yl)acetamide
CID 106184396
N-(3-chlorobutyl)-2-(thian-4-yl)acetamide
CID 83137171
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(thian-4-yl)acetamide
CID 83136385
N-(2-cyanopropyl)-2-(thian-4-yl)acetamide
CID 80709073
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(thian-4-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(thian-4-yl)acetamide (CID 80708318) is N-propan-2-yl-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(thian-4-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(thian-4-yl)acetamide is CC(C)NC(=O)CC1CCSCC1.
What is the InChIKey of N-propan-2-yl-2-(thian-4-yl)acetamide?
The InChIKey is SQSROJUNLPOXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(2)11-10(12)7-9-3-5-13-6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-2-(thian-4-yl)acetamide?
N-propan-2-yl-2-(thian-4-yl)acetamide has a molecular weight of 201.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(thian-4-yl)acetamide is sourced from PubChem (CID 80708318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).