N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine

C12H23N5S — CID 62419045

IUPACN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCSCC2)nn1
InChIInChI=1S/C12H23N5S/c1-11(2)13-9-12-10-17(15-14-12)4-3-16-5-7-18-8-6-16/h10-11,13H,3-9H2,1-2H3
InChIKeyLDMKBSSCFYHVIC-UHFFFAOYSA-N
MW269.42 g/mol
LogP0.82
Rot. Bonds6

About N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 62419045) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID62419045
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN2CCSCC2)nn1
InChIInChI=1S/C12H23N5S/c1-11(2)13-9-12-10-17(15-14-12)4-3-16-5-7-18-8-6-16/h10-11,13H,3-9H2,1-2H3
InChIKeyLDMKBSSCFYHVIC-UHFFFAOYSA-N
XLogP0.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-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-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine (CID 62419045) is N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN2CCSCC2)nn1.
What is the InChIKey of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is LDMKBSSCFYHVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-11(2)13-9-12-10-17(15-14-12)4-3-16-5-7-18-8-6-16/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 269.42 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62419045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).