N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C11H19NO2S — CID 107035447

IUPACN-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(NC(=O)CC2(CS)CC2)CCOC1
InChIInChI=1S/C11H19NO2S/c1-10(4-5-14-7-10)12-9(13)6-11(8-15)2-3-11/h15H,2-8H2,1H3,(H,12,13)
InChIKeyALHXGTMWAQMQJJ-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.38
Rot. Bonds4

About N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107035447) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107035447
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCC1(NC(=O)CC2(CS)CC2)CCOC1
InChIInChI=1S/C11H19NO2S/c1-10(4-5-14-7-10)12-9(13)6-11(8-15)2-3-11/h15H,2-8H2,1H3,(H,12,13)
InChIKeyALHXGTMWAQMQJJ-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107035447) is N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CC1(NC(=O)CC2(CS)CC2)CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is ALHXGTMWAQMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10(4-5-14-7-10)12-9(13)6-11(8-15)2-3-11/h15H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 229.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107035447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).