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

C12H27NOS — CID 107772704

IUPAC3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
SMILESCCCNC(CC)C(C)SC(C)C(C)O
InChIInChI=1S/C12H27NOS/c1-6-8-13-12(7-2)11(5)15-10(4)9(3)14/h9-14H,6-8H2,1-5H3
InChIKeyDMMHDDINJWCFCC-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.66
Rot. Bonds8

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

3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol (PubChem CID 107772704) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
PubChem CID107772704
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
SMILESCCCNC(CC)C(C)SC(C)C(C)O
InChIInChI=1S/C12H27NOS/c1-6-8-13-12(7-2)11(5)15-10(4)9(3)14/h9-14H,6-8H2,1-5H3
InChIKeyDMMHDDINJWCFCC-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
3-[3-(propylamino)pentan-2-ylsulfanyl]propane-1,2-diol
CID 79672307
2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
CID 103706063
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
N-ethyl-2-propan-2-ylsulfanylpentan-3-amine
CID 64632850
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
2-(4-methoxyphenyl)sulfanyl-N-propylpentan-3-amine
CID 64619962
3-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64632853
3-[3-methoxy-2-(propylamino)propyl]sulfanylbutan-2-ol
CID 107772434
ethyl 3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107771748

Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol?
The IUPAC name of 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol (CID 107772704) is 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol is CCCNC(CC)C(C)SC(C)C(C)O.
What is the InChIKey of 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol?
The InChIKey is DMMHDDINJWCFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-8-13-12(7-2)11(5)15-10(4)9(3)14/h9-14H,6-8H2,1-5H3.
What are the key properties of 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol?
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol has a molecular weight of 233.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol is sourced from PubChem (CID 107772704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).