4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C16H26ClNOS — CID 103291384

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)SCc1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-12(2)18-16(4,11-19)9-13(3)20-10-14-7-5-6-8-15(14)17/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyHZJYTWOXOWVVNH-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.10
Rot. Bonds8

About 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 103291384) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID103291384
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)SCc1ccccc1Cl
InChIInChI=1S/C16H26ClNOS/c1-12(2)18-16(4,11-19)9-13(3)20-10-14-7-5-6-8-15(14)17/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyHZJYTWOXOWVVNH-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
3-[(2-chlorophenyl)methylsulfanyl]butanenitrile
CID 103288480
3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 103291371
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
3-[(2,3-dichlorophenyl)methylsulfanyl]butan-1-ol
CID 107091780
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 114792920

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 103291384) is 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)SCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is HZJYTWOXOWVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNOS/c1-12(2)18-16(4,11-19)9-13(3)20-10-14-7-5-6-8-15(14)17/h5-8,12-13,18-19H,9-11H2,1-4H3.
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 315.91 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 103291384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).