2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol

C13H21NS — CID 155137314

IUPAC2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol
SMILESCCCc1ccccc1C(S)C(C)(C)N
InChIInChI=1S/C13H21NS/c1-4-7-10-8-5-6-9-11(10)12(15)13(2,3)14/h5-6,8-9,12,15H,4,7,14H2,1-3H3
InChIKeyOASCFSVIDCFNNM-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.35
Rot. Bonds4

About 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol

2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol (PubChem CID 155137314) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol.

Molecular Properties

Compound Name2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol
PubChem CID155137314
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol
SMILESCCCc1ccccc1C(S)C(C)(C)N
InChIInChI=1S/C13H21NS/c1-4-7-10-8-5-6-9-11(10)12(15)13(2,3)14/h5-6,8-9,12,15H,4,7,14H2,1-3H3
InChIKeyOASCFSVIDCFNNM-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol?
The IUPAC name of 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol (CID 155137314) is 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol.
What is the SMILES notation for 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol?
The canonical SMILES for 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol is CCCc1ccccc1C(S)C(C)(C)N.
What is the InChIKey of 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol?
The InChIKey is OASCFSVIDCFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-7-10-8-5-6-9-11(10)12(15)13(2,3)14/h5-6,8-9,12,15H,4,7,14H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol?
2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol has a molecular weight of 223.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(2-propylphenyl)propane-1-thiol is sourced from PubChem (CID 155137314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).