2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol

C11H25NOS — CID 66102569

IUPAC2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
SMILESCCCNC(C)C(C)SCC(C)CO
InChIInChI=1S/C11H25NOS/c1-5-6-12-10(3)11(4)14-8-9(2)7-13/h9-13H,5-8H2,1-4H3
InChIKeyBHZGFVYYYOOEDD-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.12
Rot. Bonds8

About 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol

2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol (PubChem CID 66102569) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
PubChem CID66102569
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
SMILESCCCNC(C)C(C)SCC(C)CO
InChIInChI=1S/C11H25NOS/c1-5-6-12-10(3)11(4)14-8-9(2)7-13/h9-13H,5-8H2,1-4H3
InChIKeyBHZGFVYYYOOEDD-UHFFFAOYSA-N
XLogP2.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66103224
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
CID 79672307
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248
3-[2-cyclopentyl-2-(propylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 104755887
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
3-[(2-chlorophenyl)methylsulfanyl]-N-propylbutan-2-amine
CID 103291090
2-methyl-3-[2-(propan-2-ylamino)ethylsulfanyl]propan-1-ol
CID 66106072
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol (CID 66102569) is 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol is CCCNC(C)C(C)SCC(C)CO.
What is the InChIKey of 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol?
The InChIKey is BHZGFVYYYOOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-5-6-12-10(3)11(4)14-8-9(2)7-13/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol?
2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol is sourced from PubChem (CID 66102569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).