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

C12H22N2O3S — CID 107769716

IUPAC2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C12H22N2O3S/c1-9(15)13-11(8-18)12(16)14(2)5-6-17-7-10-3-4-10/h10-11,18H,3-8H2,1-2H3,(H,13,15)
InChIKeySSCUDOFJGQHWHG-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.31
Rot. Bonds8

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

2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide (PubChem CID 107769716) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
PubChem CID107769716
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C12H22N2O3S/c1-9(15)13-11(8-18)12(16)14(2)5-6-17-7-10-3-4-10/h10-11,18H,3-8H2,1-2H3,(H,13,15)
InChIKeySSCUDOFJGQHWHG-UHFFFAOYSA-N
XLogP0.31
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-N-methyl-3-sulfanylpropanamide
CID 107032708
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
CID 107570144
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
CID 107472450
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290
cyclohexylmethyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775759
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
methyl 2-acetamido-3-(cyclopropylmethoxy)propanoate
CID 65443972
2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107769331
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119340566
2-acetamido-N-(2-cyanoethyl)-N-cyclopropyl-3-sulfanylpropanamide
CID 107769334
3-cyclohexyl-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea
CID 115686592

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide (CID 107769716) is 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)N(C)CCOCC1CC1.
What is the InChIKey of 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
The InChIKey is SSCUDOFJGQHWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9(15)13-11(8-18)12(16)14(2)5-6-17-7-10-3-4-10/h10-11,18H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide?
2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 107769716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).