4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H24ClNOS — CID 64819063

IUPAC4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyKCMOXZGDOXYBRL-UHFFFAOYSA-N
MW301.88 g/mol
LogP3.96
Rot. Bonds7

About 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64819063) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64819063
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyKCMOXZGDOXYBRL-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807198
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 114792920
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 65040969
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
3-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64805573
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64711047
3-(4-chlorophenyl)sulfanylbutan-1-amine
CID 60914334
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64819063) is 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is KCMOXZGDOXYBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-11(2)17-15(4,10-18)9-12(3)19-14-7-5-13(16)6-8-14/h5-8,11-12,17-18H,9-10H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 301.88 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64819063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).