N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C14H27NOS — CID 107818575

IUPACN-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCCC(CC)CNC(=O)CC1(CS)CC1
InChIInChI=1S/C14H27NOS/c1-3-5-6-12(4-2)10-15-13(16)9-14(11-17)7-8-14/h12,17H,3-11H2,1-2H3,(H,15,16)
InChIKeyXTAQKSKJPPILKW-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.42
Rot. Bonds9

About N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107818575) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107818575
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCCC(CC)CNC(=O)CC1(CS)CC1
InChIInChI=1S/C14H27NOS/c1-3-5-6-12(4-2)10-15-13(16)9-14(11-17)7-8-14/h12,17H,3-11H2,1-2H3,(H,15,16)
InChIKeyXTAQKSKJPPILKW-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030496
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 113363228

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107818575) is N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCCCC(CC)CNC(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is XTAQKSKJPPILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-3-5-6-12(4-2)10-15-13(16)9-14(11-17)7-8-14/h12,17H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 257.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107818575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).