N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide

C12H22N2O2S — CID 81451090

IUPACN-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1(C)CCCS1
InChIInChI=1S/C12H22N2O2S/c1-3-16-9-7-8(13)10(9)14-11(15)12(2)5-4-6-17-12/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyLMMHHEFQJUFJIB-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.89
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide (PubChem CID 81451090) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide
PubChem CID81451090
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)C1(C)CCCS1
InChIInChI=1S/C12H22N2O2S/c1-3-16-9-7-8(13)10(9)14-11(15)12(2)5-4-6-17-12/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyLMMHHEFQJUFJIB-UHFFFAOYSA-N
XLogP0.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopropyl)-2-methylthiolane-2-carboxamide
CID 81451810
N-(2-amino-4-ethoxycyclobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475604
3-(2-amino-4-ethoxycyclobutyl)-1,1-dimethylurea
CID 79153530
N-(2-amino-4-ethoxycyclobutyl)cyclooctanecarboxamide
CID 66194926
N-cyclopropyl-2-methylthiolane-2-carboxamide
CID 80949024
cyclopentyl N-(2-amino-4-ethoxycyclobutyl)carbamate
CID 112738608
N-(2-amino-4-ethoxycyclobutyl)oxolane-2-carboxamide
CID 66195111
N-(2-amino-4-ethoxycyclobutyl)but-2-ynamide
CID 107990558
1-(2-amino-4-ethoxycyclobutyl)-3-propylurea
CID 66197437
N-(2-amino-4-ethoxycyclobutyl)-2-cyclohexylacetamide
CID 66195496
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide (CID 81451090) is N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide is CCOC1CC(N)C1NC(=O)C1(C)CCCS1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide?
The InChIKey is LMMHHEFQJUFJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-3-16-9-7-8(13)10(9)14-11(15)12(2)5-4-6-17-12/h8-10H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81451090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).