N-(2-aminoethyl)-2-methylthiolane-2-carboxamide

C8H16N2OS — CID 81450452

IUPACN-(2-aminoethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCCN)CCCS1
InChIInChI=1S/C8H16N2OS/c1-8(3-2-6-12-8)7(11)10-5-4-9/h2-6,9H2,1H3,(H,10,11)
InChIKeyYYQOPECTVZJEPP-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.35
Rot. Bonds3

About N-(2-aminoethyl)-2-methylthiolane-2-carboxamide

N-(2-aminoethyl)-2-methylthiolane-2-carboxamide (PubChem CID 81450452) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methylthiolane-2-carboxamide
PubChem CID81450452
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-aminoethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCCN)CCCS1
InChIInChI=1S/C8H16N2OS/c1-8(3-2-6-12-8)7(11)10-5-4-9/h2-6,9H2,1H3,(H,10,11)
InChIKeyYYQOPECTVZJEPP-UHFFFAOYSA-N
XLogP0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-2-methylthiolane-2-carboxamide
CID 81452022
N-(5-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107318890
N-(4-amino-4-sulfanylidenebutyl)-2-methylthiolane-2-carboxamide
CID 81450257
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-(2-aminobutyl)-2-methylthiolane-2-carboxamide
CID 81450732
N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
CID 115701886
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317
N-[2-(1H-imidazol-2-yl)ethyl]-2-methylthiolane-2-carboxamide
CID 115702011
2-hydroxy-3-[(2-methylthiolane-2-carbonyl)amino]propanoic acid
CID 81451719
N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiolane-2-carboxamide
CID 103774505

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-methylthiolane-2-carboxamide (CID 81450452) is N-(2-aminoethyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-methylthiolane-2-carboxamide is CC1(C(=O)NCCN)CCCS1.
What is the InChIKey of N-(2-aminoethyl)-2-methylthiolane-2-carboxamide?
The InChIKey is YYQOPECTVZJEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(3-2-6-12-8)7(11)10-5-4-9/h2-6,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminoethyl)-2-methylthiolane-2-carboxamide?
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide has a molecular weight of 188.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).