N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline

C14H22N2S — CID 154986958

IUPACN,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline
SMILESCCCC(C)(C)c1ccc(C)c(N=S)c1NC
InChIInChI=1S/C14H22N2S/c1-6-9-14(3,4)11-8-7-10(2)12(16-17)13(11)15-5/h7-8,15H,6,9H2,1-5H3
InChIKeyHXCUCYXQXKUONV-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.48
Rot. Bonds5

About N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline

N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline (PubChem CID 154986958) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline.

Molecular Properties

Compound NameN,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline
PubChem CID154986958
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline
SMILESCCCC(C)(C)c1ccc(C)c(N=S)c1NC
InChIInChI=1S/C14H22N2S/c1-6-9-14(3,4)11-8-7-10(2)12(16-17)13(11)15-5/h7-8,15H,6,9H2,1-5H3
InChIKeyHXCUCYXQXKUONV-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline?
The IUPAC name of N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline (CID 154986958) is N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline.
What is the SMILES notation for N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline?
The canonical SMILES for N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline is CCCC(C)(C)c1ccc(C)c(N=S)c1NC.
What is the InChIKey of N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline?
The InChIKey is HXCUCYXQXKUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-6-9-14(3,4)11-8-7-10(2)12(16-17)13(11)15-5/h7-8,15H,6,9H2,1-5H3.
What are the key properties of N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline?
N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline has a molecular weight of 250.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-(2-methylpentan-2-yl)-2-thionitrosoaniline is sourced from PubChem (CID 154986958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).