4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol

C11H25NOS — CID 64900387

IUPAC4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSCC(C)C
InChIInChI=1S/C11H25NOS/c1-4-6-12-11(5-7-13)9-14-8-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyBHUUKFYMGAELEX-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.13
Rot. Bonds9

About 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol

4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol (PubChem CID 64900387) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol
PubChem CID64900387
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSCC(C)C
InChIInChI=1S/C11H25NOS/c1-4-6-12-11(5-7-13)9-14-8-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyBHUUKFYMGAELEX-UHFFFAOYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol (CID 64900387) is 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CSCC(C)C.
What is the InChIKey of 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol?
The InChIKey is BHUUKFYMGAELEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-6-12-11(5-7-13)9-14-8-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol?
4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfanyl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).