N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline

C13H21NS — CID 117043923

IUPACN-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
SMILESCC(C)Sc1ccc(N(C)C(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)14(5)12-6-8-13(9-7-12)15-11(3)4/h6-11H,1-5H3
InChIKeyGLPJCDOQWBCBBG-UHFFFAOYSA-N
MW223.39 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline

N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline (PubChem CID 117043923) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
PubChem CID117043923
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
SMILESCC(C)Sc1ccc(N(C)C(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)14(5)12-6-8-13(9-7-12)15-11(3)4/h6-11H,1-5H3
InChIKeyGLPJCDOQWBCBBG-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115225597
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115201141
N-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
CID 115167080
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115178682
methyl 3-(N-methyl-4-propan-2-ylsulfanylanilino)propanoate
CID 115232328
1-N,2-N,2-trimethyl-2-N-(4-propan-2-ylsulfanylphenyl)propane-1,2-diamine
CID 115132596
N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115202469
2-ethyl-N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)propane-1,3-diamine
CID 115251371
[4-[methyl(propan-2-yl)amino]phenyl]boronic acid
CID 119088418
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
4-propan-2-ylsulfanylbenzenesulfonyl fluoride
CID 82475958
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline?
The IUPAC name of N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline (CID 117043923) is N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline.
What is the SMILES notation for N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline?
The canonical SMILES for N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline is CC(C)Sc1ccc(N(C)C(C)C)cc1.
What is the InChIKey of N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline?
The InChIKey is GLPJCDOQWBCBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)14(5)12-6-8-13(9-7-12)15-11(3)4/h6-11H,1-5H3.
What are the key properties of N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline?
N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline has a molecular weight of 223.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline is sourced from PubChem (CID 117043923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).