1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine

C15H24ClNO2S2 — CID 66147486

IUPAC1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CSc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO2S2/c1-3-9-17-14(7-5-10-21(2,18)19)12-20-15-8-4-6-13(16)11-15/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyJPEKGACZPAWILL-UHFFFAOYSA-N
MW349.95 g/mol
LogP3.63
Rot. Bonds10

About 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine

1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 66147486) has the molecular formula C15H24ClNO2S2 and a molecular weight of 349.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
PubChem CID66147486
Molecular FormulaC15H24ClNO2S2
Molecular Weight349.95 g/mol
Exact Mass349.09
IUPAC Name1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CSc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO2S2/c1-3-9-17-14(7-5-10-21(2,18)19)12-20-15-8-4-6-13(16)11-15/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3
InChIKeyJPEKGACZPAWILL-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.95
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
1-(3-chlorophenyl)sulfanyl-5-methylsulfonylpentan-2-amine
CID 66146207
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3,5-dichlorophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820918
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
N-[1-(3-chlorophenyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66086625
4-(3-chlorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63035233

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine (CID 66147486) is 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(C)(=O)=O)CSc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is JPEKGACZPAWILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S2/c1-3-9-17-14(7-5-10-21(2,18)19)12-20-15-8-4-6-13(16)11-15/h4,6,8,11,14,17H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine?
1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 349.95 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-5-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 66147486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).