4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine

C11H15Cl2NOS — CID 64657739

IUPAC4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCNC(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(14-2)5-6-16(15)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyMGMXGOYYBKDZIA-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.10
Rot. Bonds5

About 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine

4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine (PubChem CID 64657739) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
PubChem CID64657739
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
SMILESCNC(C)CCS(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(14-2)5-6-16(15)11-7-9(12)3-4-10(11)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyMGMXGOYYBKDZIA-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
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
N-[2-(2,5-dichlorophenyl)sulfinylethyl]-N-methyl-1-phenylethanamine
CID 42962675
6-(3-chlorophenyl)sulfinyl-N-methylhexan-2-amine
CID 64660134
1-[1-[2-(2,5-dichlorophenyl)sulfinylethyl]pyrrolidin-3-yl]ethanol
CID 110019804
5-(2,5-dichlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64620648
[(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-methyl-5-(4-methylphenyl)sulfinylpentan-2-amine
CID 64658081
methyl 1-[2-[(S)-(2,5-dichlorophenyl)sulfinyl]ethyl]-1,2,4-triazole-3-carboxylate
CID 95767189

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine (CID 64657739) is 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine is CNC(C)CCS(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine?
The InChIKey is MGMXGOYYBKDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-8(14-2)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 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine?
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-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 4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine is sourced from PubChem (CID 64657739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).