5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

C15H24ClNOS — CID 64821527

IUPAC5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-10-17-15(2,12-18)9-4-11-19-14-7-5-13(16)6-8-14/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyIFOXALUZGDUYOJ-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.96
Rot. Bonds9

About 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64821527) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64821527
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-3-10-17-15(2,12-18)9-4-11-19-14-7-5-13(16)6-8-14/h5-8,17-18H,3-4,9-12H2,1-2H3
InChIKeyIFOXALUZGDUYOJ-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64807356
2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64819456
6-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64806590
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 115479504
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819084
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
5-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64811965
1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64813219

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (CID 64821527) is 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCSc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is IFOXALUZGDUYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-10-17-15(2,12-18)9-4-11-19-14-7-5-13(16)6-8-14/h5-8,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 301.88 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64821527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).