5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol

C16H26ClNOS — CID 106810893

IUPAC5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCSc1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-3-11-18-16(4-2,13-19)10-7-12-20-15-9-6-5-8-14(15)17/h5-6,8-9,18-19H,3-4,7,10-13H2,1-2H3
InChIKeyPZDQMPYZGJMCHZ-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.35
Rot. Bonds10

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

5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106810893) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106810893
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCSc1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-3-11-18-16(4-2,13-19)10-7-12-20-15-9-6-5-8-14(15)17/h5-6,8-9,18-19H,3-4,7,10-13H2,1-2H3
InChIKeyPZDQMPYZGJMCHZ-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.35
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

5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811134
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520657
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810779
5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811083
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(methylamino)pentanenitrile
CID 106805150
2-ethyl-5-(2-methoxyphenoxy)-2-(propylamino)pentan-1-ol
CID 106810528
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810829
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
N-[2-(2-chlorophenyl)sulfanylethyl]butan-1-amine
CID 62583171
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol (CID 106810893) is 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCSc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is PZDQMPYZGJMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNOS/c1-3-11-18-16(4-2,13-19)10-7-12-20-15-9-6-5-8-14(15)17/h5-6,8-9,18-19H,3-4,7,10-13H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 315.91 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106810893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).