N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

C14H29N3OS — CID 106325494

IUPACN-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCC(C)N1CCOC(CNCCN2CCSCC2)C1
InChIInChI=1S/C14H29N3OS/c1-13(2)17-5-8-18-14(12-17)11-15-3-4-16-6-9-19-10-7-16/h13-15H,3-12H2,1-2H3
InChIKeyDJLDNWBSWKEFQG-UHFFFAOYSA-N
MW287.47 g/mol
LogP0.73
Rot. Bonds6

About N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 106325494) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID106325494
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCC(C)N1CCOC(CNCCN2CCSCC2)C1
InChIInChI=1S/C14H29N3OS/c1-13(2)17-5-8-18-14(12-17)11-15-3-4-16-6-9-19-10-7-16/h13-15H,3-12H2,1-2H3
InChIKeyDJLDNWBSWKEFQG-UHFFFAOYSA-N
XLogP0.73
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine 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

3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 64534517
1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine (CID 106325494) is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is CC(C)N1CCOC(CNCCN2CCSCC2)C1.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is DJLDNWBSWKEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-13(2)17-5-8-18-14(12-17)11-15-3-4-16-6-9-19-10-7-16/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 287.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 106325494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).