2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline

C12H19NS — CID 145156047

IUPAC2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline
SMILESC=S(C)Nc1ccc(CCC)cc1C
InChIInChI=1S/C12H19NS/c1-5-6-11-7-8-12(10(2)9-11)13-14(3)4/h7-9,13H,3,5-6H2,1-2,4H3
InChIKeyNUENZGBCFABCKE-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline

2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline (PubChem CID 145156047) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline.

Molecular Properties

Compound Name2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline
PubChem CID145156047
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline
SMILESC=S(C)Nc1ccc(CCC)cc1C
InChIInChI=1S/C12H19NS/c1-5-6-11-7-8-12(10(2)9-11)13-14(3)4/h7-9,13H,3,5-6H2,1-2,4H3
InChIKeyNUENZGBCFABCKE-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline?
The IUPAC name of 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline (CID 145156047) is 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline.
What is the SMILES notation for 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline?
The canonical SMILES for 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline is C=S(C)Nc1ccc(CCC)cc1C.
What is the InChIKey of 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline?
The InChIKey is NUENZGBCFABCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-6-11-7-8-12(10(2)9-11)13-14(3)4/h7-9,13H,3,5-6H2,1-2,4H3.
What are the key properties of 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline?
2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline has a molecular weight of 209.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[methyl(methylidene)-λ4-sulfanyl]-4-propylaniline is sourced from PubChem (CID 145156047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).