5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H24ClNOS — CID 64807414

IUPAC5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3
InChIKeyZYJHSFFJACDEPC-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.96
Rot. Bonds8

About 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64807414) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64807414
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1ccccc1Cl
InChIInChI=1S/C15H24ClNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3
InChIKeyZYJHSFFJACDEPC-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-methyl-2-(propan-2-ylamino)-5-thiophen-2-ylsulfanylpentan-1-ol
CID 64820619
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64821321
2-amino-6-(2-chlorophenyl)sulfanyl-2-methylhexan-1-ol
CID 64805546
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 114792920
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
5-(2-bromophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64819935
methyl 4-(2-chlorophenyl)sulfanylbutanoate
CID 43378296
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 103291384

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64807414) is 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CCCSc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is ZYJHSFFJACDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-12(2)17-15(3,11-18)9-6-10-19-14-8-5-4-7-13(14)16/h4-5,7-8,12,17-18H,6,9-11H2,1-3H3.
What are the key properties of 5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 301.88 g/mol, XLogP of 3.96, 8 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-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64807414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).