[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol

C15H19NS — CID 115228492

IUPAC[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
SMILESCc1ccc2cc(CCN(C)CS)ccc2c1
InChIInChI=1S/C15H19NS/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-16(2)11-17/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyFTMUUSNBBYBHDG-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.51
Rot. Bonds4

About [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol

[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol (PubChem CID 115228492) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol.

Molecular Properties

Compound Name[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
PubChem CID115228492
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
SMILESCc1ccc2cc(CCN(C)CS)ccc2c1
InChIInChI=1S/C15H19NS/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-16(2)11-17/h3-6,9-10,17H,7-8,11H2,1-2H3
InChIKeyFTMUUSNBBYBHDG-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
CID 117043584
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanethiol
CID 115224440
[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
2-hydroxy-N-methyl-N-[2-(6-methylnaphthalen-2-yl)ethyl]acetamide
CID 115140233
N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
CID 170865408
2-methyl-7-propylnaphthalene
CID 59912073
[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]methanethiol
CID 115228378
2-[methyl(2-naphthalen-2-ylethyl)amino]ethanol
CID 113236296
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N',N'-dimethyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116847656
1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115199467
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884

Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol?
The IUPAC name of [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol (CID 115228492) is [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol.
What is the SMILES notation for [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol?
The canonical SMILES for [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol is Cc1ccc2cc(CCN(C)CS)ccc2c1.
What is the InChIKey of [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol?
The InChIKey is FTMUUSNBBYBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12-3-5-15-10-13(4-6-14(15)9-12)7-8-16(2)11-17/h3-6,9-10,17H,7-8,11H2,1-2H3.
What are the key properties of [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol?
[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol has a molecular weight of 245.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol is sourced from PubChem (CID 115228492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).