(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine

C11H18N2S — CID 104867977

IUPAC(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
SMILESCSc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2S/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyCUOLFXFTRAODKS-SECBINFHSA-N
MW210.35 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine (PubChem CID 104867977) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
PubChem CID104867977
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
SMILESCSc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2S/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyCUOLFXFTRAODKS-SECBINFHSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine 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

(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
1-N,1-N-diethyl-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 113408523
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
(2S)-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 104867846
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine (CID 104867977) is (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine is CSc1ccccc1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine?
The InChIKey is CUOLFXFTRAODKS-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).