(2-butan-2-ylsulfanylphenyl)methanamine

C11H17NS — CID 43528764

IUPAC(2-butan-2-ylsulfanylphenyl)methanamine
SMILESCCC(C)Sc1ccccc1CN
InChIInChI=1S/C11H17NS/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9H,3,8,12H2,1-2H3
InChIKeyIVKPQEYFOGRHAG-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.04
Rot. Bonds4

About (2-butan-2-ylsulfanylphenyl)methanamine

(2-butan-2-ylsulfanylphenyl)methanamine (PubChem CID 43528764) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2-butan-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-ylsulfanylphenyl)methanamine
PubChem CID43528764
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2-butan-2-ylsulfanylphenyl)methanamine
SMILESCCC(C)Sc1ccccc1CN
InChIInChI=1S/C11H17NS/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9H,3,8,12H2,1-2H3
InChIKeyIVKPQEYFOGRHAG-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 423583
(2-Methanesulfonylphenyl)methanamine
CID 16218335
2-Amino-1-(4-ethylthiophenyl)butane
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1-[2-(Methylsulfanyl)phenyl]cyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (2-butan-2-ylsulfanylphenyl)methanamine (CID 43528764) is (2-butan-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-butan-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (2-butan-2-ylsulfanylphenyl)methanamine is CCC(C)Sc1ccccc1CN.
What is the InChIKey of (2-butan-2-ylsulfanylphenyl)methanamine?
The InChIKey is IVKPQEYFOGRHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-9(2)13-11-7-5-4-6-10(11)8-12/h4-7,9H,3,8,12H2,1-2H3.
What are the key properties of (2-butan-2-ylsulfanylphenyl)methanamine?
(2-butan-2-ylsulfanylphenyl)methanamine has a molecular weight of 195.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 43528764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).