N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine

C11H15Cl2NOS — CID 64657735

IUPACN-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
SMILESCC(C)NCCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(2)14-5-6-16(15)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyDHLBHZLEELSZBS-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine

N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine (PubChem CID 64657735) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
PubChem CID64657735
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
SMILESCC(C)NCCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(2)14-5-6-16(15)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyDHLBHZLEELSZBS-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

4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
N-[2-(2-methoxyphenyl)sulfinylethyl]propan-2-amine
CID 64659998
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
1-[1-[2-(2,5-dichlorophenyl)sulfinylethyl]pyrrolidin-3-yl]ethanol
CID 110019804
[(3S,4R)-1-[2-(2,5-dichlorophenyl)sulfinylethyl]-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 146107728
4-(2,5-dichlorophenyl)sulfinylpentan-2-one
CID 64702900
2,5-dichlorobenzenesulfinate
CID 5236909
N-(5-chloro-2-methoxyphenyl)-2-[2-(2,5-dichlorophenyl)sulfinylethyl-methylamino]acetamide
CID 86969395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine (CID 64657735) is N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine is CC(C)NCCS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine?
The InChIKey is DHLBHZLEELSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-8(2)14-5-6-16(15)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine?
N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-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 N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine is sourced from PubChem (CID 64657735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).