2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

C11H24N2O3S — CID 137466262

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)CSCCN(C)C
InChIInChI=1S/C11H24N2O3S/c1-12(2)6-9-17-10-11(15)13(4-7-14)5-8-16-3/h14H,4-10H2,1-3H3
InChIKeyBAFQANKPHYVLEY-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.25
Rot. Bonds10

About 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide

2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 137466262) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
PubChem CID137466262
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCO)C(=O)CSCCN(C)C
InChIInChI=1S/C11H24N2O3S/c1-12(2)6-9-17-10-11(15)13(4-7-14)5-8-16-3/h14H,4-10H2,1-3H3
InChIKeyBAFQANKPHYVLEY-UHFFFAOYSA-N
XLogP-0.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-(2-propanoyloxyethyl)amino]ethyl propanoate
CID 169015752
2-butylsulfanyl-N,N-bis(2-hydroxyethyl)acetamide
CID 61236004
tert-butyl N-[2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfanylethyl]carbamate
CID 84558313
3-(dimethylamino)-N,N-bis(2-hydroxyethyl)propanamide;ethane
CID 168940710
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
2-[[2-[2-(dimethylamino)ethylsulfanyl]acetyl]-[2-(2,4-dimethylpentanoyloxy)ethyl]amino]ethyl 2,2,4-trimethylpentanoate
CID 170076305
2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103857573
N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
CID 103915679
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851
3-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-3-oxopropanoic acid
CID 62229917
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide (CID 137466262) is 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is COCCN(CCO)C(=O)CSCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is BAFQANKPHYVLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-12(2)6-9-17-10-11(15)13(4-7-14)5-8-16-3/h14H,4-10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide?
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of -0.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 137466262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).