N-(2-ethylbutyl)thiolan-3-amine

C10H21NS — CID 115718005

IUPACN-(2-ethylbutyl)thiolan-3-amine
SMILESCCC(CC)CNC1CCSC1
InChIInChI=1S/C10H21NS/c1-3-9(4-2)7-11-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyNHKLPSXTFIODTF-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds5

About N-(2-ethylbutyl)thiolan-3-amine

N-(2-ethylbutyl)thiolan-3-amine (PubChem CID 115718005) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(2-ethylbutyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)thiolan-3-amine
PubChem CID115718005
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(2-ethylbutyl)thiolan-3-amine
SMILESCCC(CC)CNC1CCSC1
InChIInChI=1S/C10H21NS/c1-3-9(4-2)7-11-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyNHKLPSXTFIODTF-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylbutyl)thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)thiolan-3-amine?
The IUPAC name of N-(2-ethylbutyl)thiolan-3-amine (CID 115718005) is N-(2-ethylbutyl)thiolan-3-amine.
What is the SMILES notation for N-(2-ethylbutyl)thiolan-3-amine?
The canonical SMILES for N-(2-ethylbutyl)thiolan-3-amine is CCC(CC)CNC1CCSC1.
What is the InChIKey of N-(2-ethylbutyl)thiolan-3-amine?
The InChIKey is NHKLPSXTFIODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-9(4-2)7-11-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)thiolan-3-amine?
N-(2-ethylbutyl)thiolan-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)thiolan-3-amine is sourced from PubChem (CID 115718005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).