N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C11H15NO2S2 — CID 115877656

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NC1(CO)CC1
InChIInChI=1S/C11H15NO2S2/c13-8-11(3-4-11)12-10(14)7-15-6-9-2-1-5-16-9/h1-2,5,13H,3-4,6-8H2,(H,12,14)
InChIKeyJJBVNDQHLBESGV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.62
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 115877656) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID115877656
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)NC1(CO)CC1
InChIInChI=1S/C11H15NO2S2/c13-8-11(3-4-11)12-10(14)7-15-6-9-2-1-5-16-9/h1-2,5,13H,3-4,6-8H2,(H,12,14)
InChIKeyJJBVNDQHLBESGV-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 62526504
4-methyl-1-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172601
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
1-[[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312042
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103945338
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518929
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 103849551
2-hydroxy-2-methyl-3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 66171992
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
2-(thiophen-2-ylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885294

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 115877656) is N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is JJBVNDQHLBESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c13-8-11(3-4-11)12-10(14)7-15-6-9-2-1-5-16-9/h1-2,5,13H,3-4,6-8H2,(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 115877656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).