4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol

C13H20BrNOS — CID 64806731

IUPAC4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1cccc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-10(8-13(2,9-16)15-3)17-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyWOJRXKQPTJSNCJ-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.29
Rot. Bonds6

About 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol

4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64806731) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64806731
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1cccc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-10(8-13(2,9-16)15-3)17-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyWOJRXKQPTJSNCJ-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807876
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64704927
4-(3-bromophenyl)sulfanyl-N-methylpentan-2-amine
CID 64704253
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64704732
N-[2-(3-bromophenyl)sulfanylpropyl]pentan-3-amine
CID 63516309
3-amino-2-(3-bromophenyl)sulfanylbutan-1-ol
CID 64899184
4-(3-bromophenyl)sulfanyl-N-propylpentan-2-amine
CID 64704073
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
3-(3-chlorophenyl)sulfanyl-2-methyl-2-(methylamino)propan-1-ol
CID 64807962
4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819063
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
4-(4-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentanoic acid
CID 64710227

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol (CID 64806731) is 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)Sc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is WOJRXKQPTJSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-10(8-13(2,9-16)15-3)17-12-6-4-5-11(14)7-12/h4-7,10,15-16H,8-9H2,1-3H3.
What are the key properties of 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol?
4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 318.28 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64806731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).