2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

C12H26N2S — CID 62263436

IUPAC2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-4-5-13-10-12(2,3)11-14-6-8-15-9-7-14/h13H,4-11H2,1-3H3
InChIKeyZUFDKYOEXNOXNS-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.06
Rot. Bonds6

About 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine

2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62263436) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
PubChem CID62263436
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
SMILESCCCNCC(C)(C)CN1CCSCC1
InChIInChI=1S/C12H26N2S/c1-4-5-13-10-12(2,3)11-14-6-8-15-9-7-14/h13H,4-11H2,1-3H3
InChIKeyZUFDKYOEXNOXNS-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine (CID 62263436) is 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is CCCNCC(C)(C)CN1CCSCC1.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is ZUFDKYOEXNOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-5-13-10-12(2,3)11-14-6-8-15-9-7-14/h13H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine?
2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62263436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).