1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine

C15H23Cl2NOS — CID 115477659

IUPAC1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CS(=O)c1c(Cl)cccc1Cl)C(C)(C)C
InChIInChI=1S/C15H23Cl2NOS/c1-5-9-18-13(15(2,3)4)10-20(19)14-11(16)7-6-8-12(14)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyVQAJAOQMIAYOFW-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.52
Rot. Bonds6

About 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine

1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 115477659) has the molecular formula C15H23Cl2NOS and a molecular weight of 336.33 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID115477659
Molecular FormulaC15H23Cl2NOS
Molecular Weight336.33 g/mol
Exact Mass335.09
IUPAC Name1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(CS(=O)c1c(Cl)cccc1Cl)C(C)(C)C
InChIInChI=1S/C15H23Cl2NOS/c1-5-9-18-13(15(2,3)4)10-20(19)14-11(16)7-6-8-12(14)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyVQAJAOQMIAYOFW-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64655569
1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64650987
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
1-(2,6-dichlorophenyl)sulfinyl-3-methylbutan-2-amine
CID 115477642
3,3-dimethyl-1-(4-nitrophenyl)sulfinyl-N-propylbutan-2-amine
CID 64651859
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-butan-2-ylsulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64651287
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine (CID 115477659) is 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(CS(=O)c1c(Cl)cccc1Cl)C(C)(C)C.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is VQAJAOQMIAYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NOS/c1-5-9-18-13(15(2,3)4)10-20(19)14-11(16)7-6-8-12(14)17/h6-8,13,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine?
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 336.33 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 115477659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).