1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine

C11H15Cl2NOS — CID 64660271

IUPAC1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
SMILESCCNC(C)CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-14-8(2)7-16(15)11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyMCKRWLYGTFFYHO-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.10
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine

1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine (PubChem CID 64660271) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
PubChem CID64660271
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
SMILESCCNC(C)CS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-3-14-8(2)7-16(15)11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyMCKRWLYGTFFYHO-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
CID 64657735
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
2-(2,5-dichlorophenyl)sulfinyl-1-(2-methylphenyl)ethanamine
CID 64659491
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 65316021
4-(2,5-dichlorophenyl)sulfinylpentan-2-one
CID 64702900
1-[1-[2-(2,5-dichlorophenyl)sulfinylethyl]pyrrolidin-3-yl]ethanol
CID 110019804
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
2-(2,5-dichlorophenyl)sulfinyl-1-(4-ethylphenyl)ethanone
CID 64635380
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
2,5-dichlorobenzenesulfinate
CID 5236909

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine (CID 64660271) is 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine is CCNC(C)CS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine?
The InChIKey is MCKRWLYGTFFYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-3-14-8(2)7-16(15)11-6-9(12)4-5-10(11)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine?
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine has a molecular weight of 280.22 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine is sourced from PubChem (CID 64660271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).