2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride

C14H24ClNOS — CID 22723357

IUPAC2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
SMILESCC(C)CCNC(CO)CSc1ccccc1.Cl
InChIInChI=1S/C14H23NOS.ClH/c1-12(2)8-9-15-13(10-16)11-17-14-6-4-3-5-7-14;/h3-7,12-13,15-16H,8-11H2,1-2H3;1H
InChIKeyDLOMBXOQDCXCCA-UHFFFAOYSA-N
MW289.87 g/mol
LogP3.20
Rot. Bonds8

About 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride

2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride (PubChem CID 22723357) has the molecular formula C14H24ClNOS and a molecular weight of 289.87 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
PubChem CID22723357
Molecular FormulaC14H24ClNOS
Molecular Weight289.87 g/mol
Exact Mass289.13
IUPAC Name2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
SMILESCC(C)CCNC(CO)CSc1ccccc1.Cl
InChIInChI=1S/C14H23NOS.ClH/c1-12(2)8-9-15-13(10-16)11-17-14-6-4-3-5-7-14;/h3-7,12-13,15-16H,8-11H2,1-2H3;1H
InChIKeyDLOMBXOQDCXCCA-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
(2S)-3-methyl-2-(2-phenylsulfanylethylamino)butan-1-ol
CID 79249697
(2R)-4-[4-(3-methylbutyl)piperazin-1-yl]-1-phenylsulfanyl-N-propan-2-ylbutan-2-amine
CID 155613541
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride?
The IUPAC name of 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride (CID 22723357) is 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride is CC(C)CCNC(CO)CSc1ccccc1.Cl.
What is the InChIKey of 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride?
The InChIKey is DLOMBXOQDCXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS.ClH/c1-12(2)8-9-15-13(10-16)11-17-14-6-4-3-5-7-14;/h3-7,12-13,15-16H,8-11H2,1-2H3;1H.
What are the key properties of 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride?
2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride has a molecular weight of 289.87 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride is sourced from PubChem (CID 22723357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).