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

C11H21NO2S — CID 107024453

IUPACN-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCN(CCO)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NO2S/c1-2-5-12(6-7-13)10(14)8-11(9-15)3-4-11/h13,15H,2-9H2,1H3
InChIKeyYUDXUIDSRKXZSW-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.32
Rot. Bonds7

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

N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107024453) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107024453
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCCCN(CCO)C(=O)CC1(CS)CC1
InChIInChI=1S/C11H21NO2S/c1-2-5-12(6-7-13)10(14)8-11(9-15)3-4-11/h13,15H,2-9H2,1H3
InChIKeyYUDXUIDSRKXZSW-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107024453) is N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is CCCN(CCO)C(=O)CC1(CS)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is YUDXUIDSRKXZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-2-5-12(6-7-13)10(14)8-11(9-15)3-4-11/h13,15H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 231.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propyl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107024453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).