N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide

C10H19NO2S — CID 107032708

IUPACN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
SMILESCN(CCOCC1CC1)C(=O)CCS
InChIInChI=1S/C10H19NO2S/c1-11(10(12)4-7-14)5-6-13-8-9-2-3-9/h9,14H,2-8H2,1H3
InChIKeyYFEIXTKZPQFIDC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide

N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide (PubChem CID 107032708) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
PubChem CID107032708
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
SMILESCN(CCOCC1CC1)C(=O)CCS
InChIInChI=1S/C10H19NO2S/c1-11(10(12)4-7-14)5-6-13-8-9-2-3-9/h9,14H,2-8H2,1H3
InChIKeyYFEIXTKZPQFIDC-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107769716
3-[2-(cyclopropylmethoxy)ethyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821123
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813303
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119340564
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
CID 107570144
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
3-(1-acetylpiperidin-4-yl)-N-(2-ethoxyethyl)-N-methylpropanamide
CID 75399323
methyl 2-[2-(cyclopropylmethoxy)ethyl-methylamino]acetate
CID 79006432

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide (CID 107032708) is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide is CN(CCOCC1CC1)C(=O)CCS.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The InChIKey is YFEIXTKZPQFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-11(10(12)4-7-14)5-6-13-8-9-2-3-9/h9,14H,2-8H2,1H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 107032708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).