N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide

C11H20N2OS — CID 103352542

IUPACN-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC2(N)CCC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-10(4-3-7-15-10)9(14)13-8-11(12)5-2-6-11/h2-8,12H2,1H3,(H,13,14)
InChIKeyNKUDHDQXOXQCEG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.27
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide

N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide (PubChem CID 103352542) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide
PubChem CID103352542
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NCC2(N)CCC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-10(4-3-7-15-10)9(14)13-8-11(12)5-2-6-11/h2-8,12H2,1H3,(H,13,14)
InChIKeyNKUDHDQXOXQCEG-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide (CID 103352542) is N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide is CC1(C(=O)NCC2(N)CCC2)CCCS1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide?
The InChIKey is NKUDHDQXOXQCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-10(4-3-7-15-10)9(14)13-8-11(12)5-2-6-11/h2-8,12H2,1H3,(H,13,14).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide?
N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 103352542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).