N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine

C17H19NS2 — CID 5246314

IUPACN,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
SMILESCN(C)CC(=CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H19NS2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyFNIXCBRAIQIRPN-UHFFFAOYSA-N
MW301.48 g/mol
LogP4.97
Rot. Bonds6

About N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine

N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine (PubChem CID 5246314) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
PubChem CID5246314
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC NameN,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
SMILESCN(C)CC(=CSc1ccccc1)Sc1ccccc1
InChIInChI=1S/C17H19NS2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyFNIXCBRAIQIRPN-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine (CID 5246314) is N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine is CN(C)CC(=CSc1ccccc1)Sc1ccccc1.
What is the InChIKey of N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine?
The InChIKey is FNIXCBRAIQIRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine?
N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine has a molecular weight of 301.48 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 5246314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).