N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline

C20H26N2S — CID 170209978

IUPACN-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline
SMILESC=CCS(CC=C)(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C20H26N2S/c1-5-17-23(18-6-2,21(3)19-13-9-7-10-14-19)22(4)20-15-11-8-12-16-20/h5-16H,1-2,17-18H2,3-4H3
InChIKeyHQMDDOYUJZPLKY-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.27
Rot. Bonds8

About N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline

N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline (PubChem CID 170209978) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline
PubChem CID170209978
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC NameN-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline
SMILESC=CCS(CC=C)(N(C)c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C20H26N2S/c1-5-17-23(18-6-2,21(3)19-13-9-7-10-14-19)22(4)20-15-11-8-12-16-20/h5-16H,1-2,17-18H2,3-4H3
InChIKeyHQMDDOYUJZPLKY-UHFFFAOYSA-N
XLogP5.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenylprop-2-ene-1-sulfonamide
CID 175235096
N-methoxy-N-phenylprop-2-ene-1-sulfonamide
CID 87802468
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
1-methyl-1-phenyl-2-prop-2-enylhydrazine
CID 134935015
hydroxy-phenyl-bis(prop-2-enyl)-λ4-sulfane
CID 67830505
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
(N-methylanilino)phosphanium
CID 163691673
ethene;N-methyl-N-phenylaniline
CID 144541479
sodium N-methyl-N-phenylsulfamate
CID 23690703
phenyl-tris(prop-2-enyl)stannane
CID 607532
1-methyl-1-phenyl-3-prop-2-enylthiourea
CID 13360327
N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline?
The IUPAC name of N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline (CID 170209978) is N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline.
What is the SMILES notation for N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline?
The canonical SMILES for N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline is C=CCS(CC=C)(N(C)c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline?
The InChIKey is HQMDDOYUJZPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-5-17-23(18-6-2,21(3)19-13-9-7-10-14-19)22(4)20-15-11-8-12-16-20/h5-16H,1-2,17-18H2,3-4H3.
What are the key properties of N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline?
N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline has a molecular weight of 326.51 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(N-methylanilino)-bis(prop-2-enyl)-λ4-sulfanyl]aniline is sourced from PubChem (CID 170209978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).