1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine

C15H22ClNOS — CID 66141385

IUPAC1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)CSc1ccccc1Cl
InChIInChI=1S/C15H22ClNOS/c16-14-8-1-2-9-15(14)19-11-12(17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11,17H2
InChIKeyGOSWVGWTLYXZNQ-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.11
Rot. Bonds7

About 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine

1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine (PubChem CID 66141385) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
PubChem CID66141385
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCCC1CCCO1)CSc1ccccc1Cl
InChIInChI=1S/C15H22ClNOS/c16-14-8-1-2-9-15(14)19-11-12(17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11,17H2
InChIKeyGOSWVGWTLYXZNQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
2-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-1-ol
CID 79455209
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(3-chlorophenoxy)-5-(oxolan-2-yl)pentan-2-amine
CID 105156521
3-chloro-4-[3-(oxolan-2-yl)propylsulfanyl]aniline
CID 65161030
1-ethoxy-5-(oxolan-2-yl)-1-phenylpentan-2-amine
CID 116773427
1-(2-chlorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164845

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine (CID 66141385) is 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine is NC(CCCC1CCCO1)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine?
The InChIKey is GOSWVGWTLYXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-14-8-1-2-9-15(14)19-11-12(17)5-3-6-13-7-4-10-18-13/h1-2,8-9,12-13H,3-7,10-11,17H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine?
1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine has a molecular weight of 299.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 66141385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).