1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol

C14H22ClNOS — CID 66148129

IUPAC1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)CSc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNOS/c1-3-16(4-2)9-8-13(17)11-18-14-7-5-6-12(15)10-14/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3
InChIKeyFVSCPPAXBOVXIR-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.52
Rot. Bonds8

About 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol

1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol (PubChem CID 66148129) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol
PubChem CID66148129
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)CSc1cccc(Cl)c1
InChIInChI=1S/C14H22ClNOS/c1-3-16(4-2)9-8-13(17)11-18-14-7-5-6-12(15)10-14/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3
InChIKeyFVSCPPAXBOVXIR-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
CID 66147924
1-(3-chlorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317875
1-(3-chlorophenyl)sulfanyl-3-ethoxy-3-methylbutan-2-ol
CID 116732128
1-(3-chlorophenyl)sulfanyl-3-methylhexan-2-amine
CID 107896590
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol (CID 66148129) is 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol is CCN(CC)CCC(O)CSc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol?
The InChIKey is FVSCPPAXBOVXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-3-16(4-2)9-8-13(17)11-18-14-7-5-6-12(15)10-14/h5-7,10,13,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol?
1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol has a molecular weight of 287.86 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol is sourced from PubChem (CID 66148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).