3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline

C22H34N2S — CID 146212515

IUPAC3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline
SMILESCC(C)S(c1cccc(N(C)C)c1)(c1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C22H34N2S/c1-17(2)25(18(3)4,21-13-9-11-19(15-21)23(5)6)22-14-10-12-20(16-22)24(7)8/h9-18H,1-8H3
InChIKeyHRCSZGVIQCGKOG-UHFFFAOYSA-N
MW358.60 g/mol
LogP5.86
Rot. Bonds6

About 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline

3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline (PubChem CID 146212515) has the molecular formula C22H34N2S and a molecular weight of 358.60 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline
PubChem CID146212515
Molecular FormulaC22H34N2S
Molecular Weight358.60 g/mol
Exact Mass358.24
IUPAC Name3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline
SMILESCC(C)S(c1cccc(N(C)C)c1)(c1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C22H34N2S/c1-17(2)25(18(3)4,21-13-9-11-19(15-21)23(5)6)22-14-10-12-20(16-22)24(7)8/h9-18H,1-8H3
InChIKeyHRCSZGVIQCGKOG-UHFFFAOYSA-N
XLogP5.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline?
The IUPAC name of 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline (CID 146212515) is 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline is CC(C)S(c1cccc(N(C)C)c1)(c1cccc(N(C)C)c1)C(C)C.
What is the InChIKey of 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline?
The InChIKey is HRCSZGVIQCGKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2S/c1-17(2)25(18(3)4,21-13-9-11-19(15-21)23(5)6)22-14-10-12-20(16-22)24(7)8/h9-18H,1-8H3.
What are the key properties of 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline?
3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline has a molecular weight of 358.60 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)phenyl]-di(propan-2-yl)-λ4-sulfanyl]-N,N-dimethylaniline is sourced from PubChem (CID 146212515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).