6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol

C16H26BrNOS — CID 64807356

IUPAC6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSc1cccc(Br)c1
InChIInChI=1S/C16H26BrNOS/c1-3-10-18-16(2,13-19)9-4-5-11-20-15-8-6-7-14(17)12-15/h6-8,12,18-19H,3-5,9-11,13H2,1-2H3
InChIKeyFKVIBRDOMSOKIY-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.46
Rot. Bonds10

About 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol

6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64807356) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64807356
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC Name6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCSc1cccc(Br)c1
InChIInChI=1S/C16H26BrNOS/c1-3-10-18-16(2,13-19)9-4-5-11-20-15-8-6-7-14(17)12-15/h6-8,12,18-19H,3-5,9-11,13H2,1-2H3
InChIKeyFKVIBRDOMSOKIY-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.46
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

5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 62805542
5-(4-chlorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821527
6-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64806590
6-(3-bromophenyl)sulfanyl-2,2-dimethylhexanimidamide
CID 106712830
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
5-(3-bromophenyl)sulfanyl-2,2-dimethylpentanoic acid
CID 65259979
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 115479504
2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)hexan-1-ol
CID 64808290
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819078
2-methyl-5-(5-methylpyrimidin-2-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64819456

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol (CID 64807356) is 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCSc1cccc(Br)c1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is FKVIBRDOMSOKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-3-10-18-16(2,13-19)9-4-5-11-20-15-8-6-7-14(17)12-15/h6-8,12,18-19H,3-5,9-11,13H2,1-2H3.
What are the key properties of 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol?
6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 360.36 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64807356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).