N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine

C11H15NS — CID 10997880

IUPACN,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine
SMILESC=C(CN(C)C)Sc1ccccc1
InChIInChI=1S/C11H15NS/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyHVTJJFHRVMWFFE-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.85
Rot. Bonds4

About N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine

N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine (PubChem CID 10997880) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine
PubChem CID10997880
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine
SMILESC=C(CN(C)C)Sc1ccccc1
InChIInChI=1S/C11H15NS/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyHVTJJFHRVMWFFE-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine (CID 10997880) is N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine is C=C(CN(C)C)Sc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine?
The InChIKey is HVTJJFHRVMWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-10(9-12(2)3)13-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3.
What are the key properties of N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine?
N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 10997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).