2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide

C16H17NOS — CID 65497678

IUPAC2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(COc2cccc3ccccc23)CC1
InChIInChI=1S/C16H17NOS/c17-15(19)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H2,17,19)
InChIKeyGCSJCGDFRAJCNC-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.67
Rot. Bonds5

About 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide

2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide (PubChem CID 65497678) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide
PubChem CID65497678
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide
SMILESNC(=S)CC1(COc2cccc3ccccc23)CC1
InChIInChI=1S/C16H17NOS/c17-15(19)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H2,17,19)
InChIKeyGCSJCGDFRAJCNC-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-bromophenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495996
2-[1-[(2-propan-2-ylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 65498111
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanamine
CID 65496036
2-[1-(2-phenoxyethoxymethyl)cyclopropyl]ethanethioamide
CID 65496626
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
[1-(quinolin-8-yloxymethyl)cyclopropyl]methanamine
CID 117051439
2-[1-[(4-chloro-3,5-dimethylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 65495785
dinaphthalen-1-yloxymethanethione
CID 22635249
benzene;naphthalen-1-yloxymethanol
CID 70447137
(naphthalen-1-yloxymethylamino)methanol
CID 54336494
naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate
CID 91093262
2-(3-naphthalen-1-yloxypropyl)guanidine
CID 95456191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide (CID 65497678) is 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide is NC(=S)CC1(COc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide?
The InChIKey is GCSJCGDFRAJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c17-15(19)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H2,17,19).
What are the key properties of 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide?
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide has a molecular weight of 271.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 65497678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).