3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol

C7H17NOS — CID 107772376

IUPAC3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
SMILESCC(O)C(C)SC[C@@H](C)N
InChIInChI=1S/C7H17NOS/c1-5(8)4-10-7(3)6(2)9/h5-7,9H,4,8H2,1-3H3/t5-,6?,7?/m1/s1
InChIKeyIVUCELKRWFRGRH-GRQBKTHUSA-N
MW163.29 g/mol
LogP0.84
Rot. Bonds4

About 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol

3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol (PubChem CID 107772376) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
PubChem CID107772376
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
SMILESCC(O)C(C)SC[C@@H](C)N
InChIInChI=1S/C7H17NOS/c1-5(8)4-10-7(3)6(2)9/h5-7,9H,4,8H2,1-3H3/t5-,6?,7?/m1/s1
InChIKeyIVUCELKRWFRGRH-GRQBKTHUSA-N
XLogP0.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-(2-chloroethylsulfanyl)butan-2-ol
CID 55300966
3-(4-aminohexylsulfanyl)butan-2-ol
CID 107772600
2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107771805
methyl 2-acetamido-3-(3-hydroxybutan-2-ylsulfanyl)propanoate
CID 107770169
3-(2-methylprop-2-enylsulfanyl)butan-2-ol
CID 103705548
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
3-(3-aminobutan-2-ylsulfanyl)butan-2-ol
CID 107772686
ethyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107771748
3-(4-hydroxybutylsulfanyl)butan-2-ol
CID 107771373
3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanenitrile
CID 107770628
3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
CID 103773263
2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
CID 66219204

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol?
The IUPAC name of 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol (CID 107772376) is 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol is CC(O)C(C)SC[C@@H](C)N.
What is the InChIKey of 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol?
The InChIKey is IVUCELKRWFRGRH-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H17NOS/c1-5(8)4-10-7(3)6(2)9/h5-7,9H,4,8H2,1-3H3/t5-,6?,7?/m1/s1.
What are the key properties of 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol?
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol has a molecular weight of 163.29 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).