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

C16H26ClNOS — CID 64659442

IUPAC3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-4-9-14(18-12-5-2)15(6-3)20(19)16-11-8-7-10-13(16)17/h7-8,10-11,14-15,18H,4-6,9,12H2,1-3H3
InChIKeyXIBRYRSXSPRDFV-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.39
Rot. Bonds9

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

3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine (PubChem CID 64659442) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
PubChem CID64659442
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)S(=O)c1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-4-9-14(18-12-5-2)15(6-3)20(19)16-11-8-7-10-13(16)17/h7-8,10-11,14-15,18H,4-6,9,12H2,1-3H3
InChIKeyXIBRYRSXSPRDFV-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfinyl-N-methylheptan-4-amine
CID 64658856
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
2-(2-chlorophenyl)sulfinyl-N-propylpentan-3-amine
CID 64658469
3-(4-chlorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64658249
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
N-ethyl-3-thiophen-2-ylsulfinylheptan-4-amine
CID 64651350
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
3-(2-methylphenyl)sulfinylheptan-4-amine
CID 64656787
1-(2-nitrophenyl)sulfinyl-N-propylpentan-2-amine
CID 64653540
1-(2-fluorophenyl)sulfinyl-N-propylbutan-2-amine
CID 64657563

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine (CID 64659442) is 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine is CCCNC(CCC)C(CC)S(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine?
The InChIKey is XIBRYRSXSPRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNOS/c1-4-9-14(18-12-5-2)15(6-3)20(19)16-11-8-7-10-13(16)17/h7-8,10-11,14-15,18H,4-6,9,12H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine?
3-(2-chlorophenyl)sulfinyl-N-propylheptan-4-amine has a molecular weight of 315.91 g/mol, XLogP of 4.39, 9 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-propylheptan-4-amine is sourced from PubChem (CID 64659442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).