1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine

C14H22ClNOS — CID 64658251

IUPAC1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CS(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H22ClNOS/c1-5-16-13(14(2,3)4)10-18(17)12-8-6-11(15)7-9-12/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIEDVQIXXRVHXRS-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine

1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine (PubChem CID 64658251) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
PubChem CID64658251
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
SMILESCCNC(CS(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H22ClNOS/c1-5-16-13(14(2,3)4)10-18(17)12-8-6-11(15)7-9-12/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIEDVQIXXRVHXRS-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
N-ethyl-3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfinylbutan-2-amine
CID 64656477
1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64650987
N-ethyl-1-(3-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659700
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627
3,3-dimethyl-1-(4-nitrophenyl)sulfinyl-N-propylbutan-2-amine
CID 64651859
1-(4-chlorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64660006
1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine
CID 64652845
1-(2,6-dichlorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 115477659
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659390
N-ethyl-1-(4-methylphenyl)sulfinylbutan-2-amine
CID 64659057

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine (CID 64658251) is 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine is CCNC(CS(=O)c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine?
The InChIKey is IEDVQIXXRVHXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-5-16-13(14(2,3)4)10-18(17)12-8-6-11(15)7-9-12/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine?
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 64658251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).