N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide

C10H20N2OS — CID 81452022

IUPACN-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
SMILESCCNCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C10H20N2OS/c1-3-11-6-7-12-9(13)10(2)5-4-8-14-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRZLPPFDNXASMZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide

N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide (PubChem CID 81452022) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
PubChem CID81452022
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
SMILESCCNCCNC(=O)C1(C)CCCS1
InChIInChI=1S/C10H20N2OS/c1-3-11-6-7-12-9(13)10(2)5-4-8-14-10/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRZLPPFDNXASMZ-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
N-(3-chlorobutyl)-2-methylthiolane-2-carboxamide
CID 114301927
N-(3-cyanopropyl)-2-methylthiolane-2-carboxamide
CID 81451532
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107300160
N-(4-amino-4-sulfanylidenebutyl)-2-methylthiolane-2-carboxamide
CID 81450257
N-(2-aminobutyl)-2-methylthiolane-2-carboxamide
CID 81450732
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylthiolane-2-carboxamide
CID 114751515
N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
CID 115701886
2-hydroxy-3-[(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81451719
N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiolane-2-carboxamide
CID 103774505
N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide (CID 81452022) is N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide is CCNCCNC(=O)C1(C)CCCS1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide?
The InChIKey is GRZLPPFDNXASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-11-6-7-12-9(13)10(2)5-4-8-14-10/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide?
N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81452022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).