3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol

C11H25NOS — CID 107772410

IUPAC3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
SMILESCCCNC(C)C(C)SC(C)C(C)O
InChIInChI=1S/C11H25NOS/c1-6-7-12-8(2)10(4)14-11(5)9(3)13/h8-13H,6-7H2,1-5H3
InChIKeyYVRVRYMZEWYHJR-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.27
Rot. Bonds7

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

3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol (PubChem CID 107772410) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
PubChem CID107772410
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
SMILESCCCNC(C)C(C)SC(C)C(C)O
InChIInChI=1S/C11H25NOS/c1-6-7-12-8(2)10(4)14-11(5)9(3)13/h8-13H,6-7H2,1-5H3
InChIKeyYVRVRYMZEWYHJR-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
CID 103706063
2-methyl-3-[3-(propylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66102569
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434
methyl 3-[3-(propylamino)butan-2-ylsulfanyl]propanoate
CID 64613726
ethyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107771748
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
CID 51411795
2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
CID 103705836

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol?
The IUPAC name of 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol (CID 107772410) is 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol is CCCNC(C)C(C)SC(C)C(C)O.
What is the InChIKey of 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol?
The InChIKey is YVRVRYMZEWYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-6-7-12-8(2)10(4)14-11(5)9(3)13/h8-13H,6-7H2,1-5H3.
What are the key properties of 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol?
3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol is sourced from PubChem (CID 107772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).