4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H23Cl2NOS — CID 64807198

IUPAC4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NOS/c1-10(2)18-15(4,9-19)8-11(3)20-14-7-12(16)5-6-13(14)17/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyIPTWZVNEFMXGNY-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.61
Rot. Bonds7

About 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64807198) has the molecular formula C15H23Cl2NOS and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64807198
Molecular FormulaC15H23Cl2NOS
Molecular Weight336.33 g/mol
Exact Mass335.09
IUPAC Name4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H23Cl2NOS/c1-10(2)18-15(4,9-19)8-11(3)20-14-7-12(16)5-6-13(14)17/h5-7,10-11,18-19H,8-9H2,1-4H3
InChIKeyIPTWZVNEFMXGNY-UHFFFAOYSA-N
XLogP4.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819063
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 103291384
N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
CID 55194771
2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 65040969
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414
4-[(4-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 114792920
4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63467093
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
3-(2,5-dichlorophenyl)sulfanylbutanimidamide
CID 60912657
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64820392

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64807198) is 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is IPTWZVNEFMXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NOS/c1-10(2)18-15(4,9-19)8-11(3)20-14-7-12(16)5-6-13(14)17/h5-7,10-11,18-19H,8-9H2,1-4H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 336.33 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64807198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).