2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

C9H20N2O2S — CID 106310997

IUPAC2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCCNCC(=O)NCCSCCCO
InChIInChI=1S/C9H20N2O2S/c1-2-10-8-9(13)11-4-7-14-6-3-5-12/h10,12H,2-8H2,1H3,(H,11,13)
InChIKeyASRLAUWGTKZSOG-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.17
Rot. Bonds9

About 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (PubChem CID 106310997) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
PubChem CID106310997
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESCCNCC(=O)NCCSCCCO
InChIInChI=1S/C9H20N2O2S/c1-2-10-8-9(13)11-4-7-14-6-3-5-12/h10,12H,2-8H2,1H3,(H,11,13)
InChIKeyASRLAUWGTKZSOG-UHFFFAOYSA-N
XLogP-0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
2-[acetyl(methyl)amino]-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767866
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
(E)-N-[2-(3-hydroxypropylsulfanyl)ethyl]but-2-enamide
CID 103801044
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (CID 106310997) is 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is CCNCC(=O)NCCSCCCO.
What is the InChIKey of 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The InChIKey is ASRLAUWGTKZSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-10-8-9(13)11-4-7-14-6-3-5-12/h10,12H,2-8H2,1H3,(H,11,13).
What are the key properties of 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide has a molecular weight of 220.34 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 106310997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).