N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine

C14H17NS2 — CID 64614845

IUPACN-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1cccs1
InChIInChI=1S/C14H17NS2/c1-11(17-13-9-6-10-16-13)14(15-2)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3
InChIKeyPBEXNHUROYQUPO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds5

About N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine

N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 64614845) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID64614845
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC NameN-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1cccs1
InChIInChI=1S/C14H17NS2/c1-11(17-13-9-6-10-16-13)14(15-2)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3
InChIKeyPBEXNHUROYQUPO-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine (CID 64614845) is N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine is CNC(c1ccccc1)C(C)Sc1cccs1.
What is the InChIKey of N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is PBEXNHUROYQUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-11(17-13-9-6-10-16-13)14(15-2)12-7-4-3-5-8-12/h3-11,14-15H,1-2H3.
What are the key properties of N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine?
N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 64614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).