N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine

C13H21N3OS — CID 143876313

IUPACN'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine
SMILESCOc1cc(N2CCSCC2)ccc1NCCN
InChIInChI=1S/C13H21N3OS/c1-17-13-10-11(16-6-8-18-9-7-16)2-3-12(13)15-5-4-14/h2-3,10,15H,4-9,14H2,1H3
InChIKeyHTSCCCCFHMCSGT-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.62
Rot. Bonds5

About N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine

N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine (PubChem CID 143876313) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine
PubChem CID143876313
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine
SMILESCOc1cc(N2CCSCC2)ccc1NCCN
InChIInChI=1S/C13H21N3OS/c1-17-13-10-11(16-6-8-18-9-7-16)2-3-12(13)15-5-4-14/h2-3,10,15H,4-9,14H2,1H3
InChIKeyHTSCCCCFHMCSGT-UHFFFAOYSA-N
XLogP1.62
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine (CID 143876313) is N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine is COc1cc(N2CCSCC2)ccc1NCCN.
What is the InChIKey of N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine?
The InChIKey is HTSCCCCFHMCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-17-13-10-11(16-6-8-18-9-7-16)2-3-12(13)15-5-4-14/h2-3,10,15H,4-9,14H2,1H3.
What are the key properties of N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine?
N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine has a molecular weight of 267.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4-thiomorpholin-4-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 143876313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).