3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine

C14H22ClNOS — CID 64658856

IUPAC3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-4-8-12(16-3)13(5-2)18(17)14-10-7-6-9-11(14)15/h6-7,9-10,12-13,16H,4-5,8H2,1-3H3
InChIKeyGFNNRWWMMQBFMT-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.61
Rot. Bonds7

About 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine

3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine (PubChem CID 64658856) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
PubChem CID64658856
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)S(=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-4-8-12(16-3)13(5-2)18(17)14-10-7-6-9-11(14)15/h6-7,9-10,12-13,16H,4-5,8H2,1-3H3
InChIKeyGFNNRWWMMQBFMT-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64659442
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
3-ethylsulfinyl-N-methylheptan-4-amine
CID 64651090
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
2-(2-chlorophenyl)sulfinyl-N-methyl-1-phenylpropan-1-amine
CID 64660228
3-(2-methylphenyl)sulfinylheptan-4-amine
CID 64656787
N-methyl-1-phenyl-2-propylsulfinylbutan-1-amine
CID 64651956
2-(2-chlorophenyl)sulfinyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64658274
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
2-(2-fluorophenyl)sulfinyl-N-methylpentan-3-amine
CID 64657553

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine (CID 64658856) is 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine is CCCC(NC)C(CC)S(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine?
The InChIKey is GFNNRWWMMQBFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-4-8-12(16-3)13(5-2)18(17)14-10-7-6-9-11(14)15/h6-7,9-10,12-13,16H,4-5,8H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine?
3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine has a molecular weight of 287.86 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine is sourced from PubChem (CID 64658856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).