4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine

C11H16N2S — CID 93278897

IUPAC4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)[C@@H]1CCSC1
InChIInChI=1S/C11H16N2S/c1-13(11-6-7-14-8-11)10-4-2-9(12)3-5-10/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1
InChIKeyRRBHVWBDBYUDIM-LLVKDONJSA-N
MW208.33 g/mol
LogP2.21
Rot. Bonds2

About 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine

4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine (PubChem CID 93278897) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
PubChem CID93278897
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1)[C@@H]1CCSC1
InChIInChI=1S/C11H16N2S/c1-13(11-6-7-14-8-11)10-4-2-9(12)3-5-10/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1
InChIKeyRRBHVWBDBYUDIM-LLVKDONJSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-4-N-(thian-4-yl)benzene-1,4-diamine
CID 83838964
N-[4-(2-aminoethyl)phenyl]-N-methylthiolan-3-amine
CID 63784257
4-[methyl(thiolan-3-yl)amino]benzaldehyde
CID 43296832
4-N-methyl-4-N-(thiolan-3-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43296414
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
CID 61145624
N-[4-(2-aminobutyl)phenyl]-N-methylthiolan-3-amine
CID 63785146
3-(4-aminophenyl)-1-methyl-1-(thiolan-3-yl)urea
CID 43469117
6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
CID 83122062
3-N-methyl-5-propan-2-yloxy-3-N-(thiolan-3-yl)benzene-1,3-diamine
CID 80722163
4-bromo-2-N-methyl-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 65343311
N-[(5-amino-2-chlorophenyl)methyl]-N-methylthiolan-3-amine
CID 43296266
N'-hydroxy-2-methyl-4-[methyl(thiolan-3-yl)amino]benzenecarboximidamide
CID 81277874

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine (CID 93278897) is 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine is CN(c1ccc(N)cc1)[C@@H]1CCSC1.
What is the InChIKey of 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine?
The InChIKey is RRBHVWBDBYUDIM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2S/c1-13(11-6-7-14-8-11)10-4-2-9(12)3-5-10/h2-5,11H,6-8,12H2,1H3/t11-/m1/s1.
What are the key properties of 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine?
4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine has a molecular weight of 208.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 93278897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).