N-(2-aminobutyl)-2-methylthiolane-2-carboxamide

C10H20N2OS — CID 81450732

IUPACN-(2-aminobutyl)-2-methylthiolane-2-carboxamide
SMILESCCC(N)CNC(=O)C1(C)CCCS1
InChIInChI=1S/C10H20N2OS/c1-3-8(11)7-12-9(13)10(2)5-4-6-14-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyGJMUCZPJEHTHQD-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.13
Rot. Bonds4

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

N-(2-aminobutyl)-2-methylthiolane-2-carboxamide (PubChem CID 81450732) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(2-aminobutyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2-methylthiolane-2-carboxamide
PubChem CID81450732
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(2-aminobutyl)-2-methylthiolane-2-carboxamide
SMILESCCC(N)CNC(=O)C1(C)CCCS1
InChIInChI=1S/C10H20N2OS/c1-3-8(11)7-12-9(13)10(2)5-4-6-14-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyGJMUCZPJEHTHQD-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-2-methylthiolane-2-carboxamide (CID 81450732) is N-(2-aminobutyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-2-methylthiolane-2-carboxamide is CCC(N)CNC(=O)C1(C)CCCS1.
What is the InChIKey of N-(2-aminobutyl)-2-methylthiolane-2-carboxamide?
The InChIKey is GJMUCZPJEHTHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-8(11)7-12-9(13)10(2)5-4-6-14-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminobutyl)-2-methylthiolane-2-carboxamide?
N-(2-aminobutyl)-2-methylthiolane-2-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81450732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).