3-(3-aminobutan-2-ylsulfanyl)butan-2-ol

C8H19NOS — CID 107772686

IUPAC3-(3-aminobutan-2-ylsulfanyl)butan-2-ol
SMILESCC(N)C(C)SC(C)C(C)O
InChIInChI=1S/C8H19NOS/c1-5(9)7(3)11-8(4)6(2)10/h5-8,10H,9H2,1-4H3
InChIKeyPJSZQJDQZMWNKB-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.22
Rot. Bonds4

About 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol

3-(3-aminobutan-2-ylsulfanyl)butan-2-ol (PubChem CID 107772686) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(3-aminobutan-2-ylsulfanyl)butan-2-ol
PubChem CID107772686
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name3-(3-aminobutan-2-ylsulfanyl)butan-2-ol
SMILESCC(N)C(C)SC(C)C(C)O
InChIInChI=1S/C8H19NOS/c1-5(9)7(3)11-8(4)6(2)10/h5-8,10H,9H2,1-4H3
InChIKeyPJSZQJDQZMWNKB-UHFFFAOYSA-N
XLogP1.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
CID 51411795
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832
3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
CID 107772376
3-[2-amino-1-(3-methylthiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770385
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770488
3-(2-amino-1,2-diphenylethyl)sulfanylbutan-2-ol
CID 107772617
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol?
The IUPAC name of 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol (CID 107772686) is 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol is CC(N)C(C)SC(C)C(C)O.
What is the InChIKey of 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol?
The InChIKey is PJSZQJDQZMWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-5(9)7(3)11-8(4)6(2)10/h5-8,10H,9H2,1-4H3.
What are the key properties of 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol?
3-(3-aminobutan-2-ylsulfanyl)butan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminobutan-2-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 107772686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).