3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol

C11H25NOS — CID 107763923

IUPAC3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol
SMILESCC(C)CCSC(CO)C(N)C(C)C
InChIInChI=1S/C11H25NOS/c1-8(2)5-6-14-10(7-13)11(12)9(3)4/h8-11,13H,5-7,12H2,1-4H3
InChIKeySORNBSJAHHAPLN-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.11
Rot. Bonds7

About 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol

3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol (PubChem CID 107763923) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol
PubChem CID107763923
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol
SMILESCC(C)CCSC(CO)C(N)C(C)C
InChIInChI=1S/C11H25NOS/c1-8(2)5-6-14-10(7-13)11(12)9(3)4/h8-11,13H,5-7,12H2,1-4H3
InChIKeySORNBSJAHHAPLN-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol (CID 107763923) is 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol is CC(C)CCSC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol?
The InChIKey is SORNBSJAHHAPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-8(2)5-6-14-10(7-13)11(12)9(3)4/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol?
3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(3-methylbutylsulfanyl)pentan-1-ol is sourced from PubChem (CID 107763923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).