N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine

C14H23NOS — CID 64651956

IUPACN-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
SMILESCCCS(=O)C(CC)C(NC)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-4-11-17(16)13(5-2)14(15-3)12-9-7-6-8-10-12/h6-10,13-15H,4-5,11H2,1-3H3
InChIKeyITDFOGQLEXKIRC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine

N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine (PubChem CID 64651956) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
PubChem CID64651956
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
SMILESCCCS(=O)C(CC)C(NC)c1ccccc1
InChIInChI=1S/C14H23NOS/c1-4-11-17(16)13(5-2)14(15-3)12-9-7-6-8-10-12/h6-10,13-15H,4-5,11H2,1-3H3
InChIKeyITDFOGQLEXKIRC-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The IUPAC name of N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine (CID 64651956) is N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine is CCCS(=O)C(CC)C(NC)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine?
The InChIKey is ITDFOGQLEXKIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-11-17(16)13(5-2)14(15-3)12-9-7-6-8-10-12/h6-10,13-15H,4-5,11H2,1-3H3.
What are the key properties of N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine?
N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine is sourced from PubChem (CID 64651956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).