N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C11H21NO3S — CID 107035183

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOCCN(CCO)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NO3S/c1-15-7-5-12(4-6-13)10(14)8-11(9-16)2-3-11/h13,16H,2-9H2,1H3
InChIKeyDLQFNDUXANJWGN-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.55
Rot. Bonds8

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

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107035183) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107035183
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCOCCN(CCO)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NO3S/c1-15-7-5-12(4-6-13)10(14)8-11(9-16)2-3-11/h13,16H,2-9H2,1H3
InChIKeyDLQFNDUXANJWGN-UHFFFAOYSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024453
N-(2-methoxyethyl)-N-methyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024477
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107024871
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 81172527
5-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688956
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
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107035183) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is COCCN(CCO)C(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is DLQFNDUXANJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-15-7-5-12(4-6-13)10(14)8-11(9-16)2-3-11/h13,16H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 247.36 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107035183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).