N-(2-thiomorpholin-3-ylethyl)butan-1-amine

C10H22N2S — CID 66422325

IUPACN-(2-thiomorpholin-3-ylethyl)butan-1-amine
SMILESCCCCNCCC1CSCCN1
InChIInChI=1S/C10H22N2S/c1-2-3-5-11-6-4-10-9-13-8-7-12-10/h10-12H,2-9H2,1H3
InChIKeyPSEDFVFNCJSBEV-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.47
Rot. Bonds6

About N-(2-thiomorpholin-3-ylethyl)butan-1-amine

N-(2-thiomorpholin-3-ylethyl)butan-1-amine (PubChem CID 66422325) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-(2-thiomorpholin-3-ylethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-3-ylethyl)butan-1-amine
PubChem CID66422325
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-(2-thiomorpholin-3-ylethyl)butan-1-amine
SMILESCCCCNCCC1CSCCN1
InChIInChI=1S/C10H22N2S/c1-2-3-5-11-6-4-10-9-13-8-7-12-10/h10-12H,2-9H2,1H3
InChIKeyPSEDFVFNCJSBEV-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-thiomorpholin-3-ylethyl)butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
2,2-dimethyl-N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 103462147
N-(2-thiomorpholin-3-ylethyl)heptan-2-amine
CID 66422759
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
2,2,3,3-tetrafluoro-N-(2-thiomorpholin-3-ylethyl)propan-1-amine
CID 106294061
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
3-methyl-N-(2-thiomorpholin-3-ylethyl)cyclopentan-1-amine
CID 114547193
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
1-thiomorpholin-3-ylnonan-2-one
CID 116586482
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The IUPAC name of N-(2-thiomorpholin-3-ylethyl)butan-1-amine (CID 66422325) is N-(2-thiomorpholin-3-ylethyl)butan-1-amine.
What is the SMILES notation for N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The canonical SMILES for N-(2-thiomorpholin-3-ylethyl)butan-1-amine is CCCCNCCC1CSCCN1.
What is the InChIKey of N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
The InChIKey is PSEDFVFNCJSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-2-3-5-11-6-4-10-9-13-8-7-12-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(2-thiomorpholin-3-ylethyl)butan-1-amine?
N-(2-thiomorpholin-3-ylethyl)butan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-3-ylethyl)butan-1-amine is sourced from PubChem (CID 66422325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).