2-methyl-N-phenylsulfanylpropan-2-amine

C10H15NS — CID 11182990

IUPAC2-methyl-N-phenylsulfanylpropan-2-amine
SMILESCC(C)(C)NSc1ccccc1
InChIInChI=1S/C10H15NS/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyAAQBFMPKCDTAJD-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.08
Rot. Bonds2

About 2-methyl-N-phenylsulfanylpropan-2-amine

2-methyl-N-phenylsulfanylpropan-2-amine (PubChem CID 11182990) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-methyl-N-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-phenylsulfanylpropan-2-amine
PubChem CID11182990
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-methyl-N-phenylsulfanylpropan-2-amine
SMILESCC(C)(C)NSc1ccccc1
InChIInChI=1S/C10H15NS/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyAAQBFMPKCDTAJD-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylsulfanylpropan-2-amine?
The IUPAC name of 2-methyl-N-phenylsulfanylpropan-2-amine (CID 11182990) is 2-methyl-N-phenylsulfanylpropan-2-amine.
What is the SMILES notation for 2-methyl-N-phenylsulfanylpropan-2-amine?
The canonical SMILES for 2-methyl-N-phenylsulfanylpropan-2-amine is CC(C)(C)NSc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylsulfanylpropan-2-amine?
The InChIKey is AAQBFMPKCDTAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,3)11-12-9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of 2-methyl-N-phenylsulfanylpropan-2-amine?
2-methyl-N-phenylsulfanylpropan-2-amine has a molecular weight of 181.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 11182990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).