2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol

C11H25NOS — CID 107764817

IUPAC2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
SMILESCCC(C)CSCCCC(C)(N)CO
InChIInChI=1S/C11H25NOS/c1-4-10(2)8-14-7-5-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3
InChIKeyKBGHFDZHFSHCIY-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.26
Rot. Bonds8

About 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol

2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol (PubChem CID 107764817) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
PubChem CID107764817
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
SMILESCCC(C)CSCCCC(C)(N)CO
InChIInChI=1S/C11H25NOS/c1-4-10(2)8-14-7-5-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3
InChIKeyKBGHFDZHFSHCIY-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-Amino-2-methylpropyl)sulfanylhexan-1-ol
CID 23615100
(3-Aminothian-3-yl)methanol
CID 62872223
2-Amino-4-(3-methoxypropylsulfanyl)-2-methylpentan-1-ol
CID 64805504
2-Amino-4-cyclopentylsulfanyl-2-methylbutan-1-ol
CID 64805509
2-Amino-6-cyclopentylsulfanyl-2-methylhexan-1-ol
CID 64805511
2-Amino-4-cyclohexylsulfanyl-2-methylpentan-1-ol
CID 64805614
2-Amino-4-cyclohexylsulfanyl-2-methylbutan-1-ol
CID 64805615
2-Amino-6-cyclohexylsulfanyl-2-methylhexan-1-ol
CID 64805617
2-Amino-2-methyl-4-(3-methylcyclohexyl)sulfanylpentan-1-ol
CID 64805890
2-Amino-4-(3-methoxypropylsulfanyl)-2-methylbutan-1-ol
CID 64805913
2-Amino-2-methyl-4-methylsulfanylpentan-1-ol
CID 64806018
2-Amino-2-methyl-6-methylsulfanylhexan-1-ol
CID 64806024

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol (CID 107764817) is 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol is CCC(C)CSCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol?
The InChIKey is KBGHFDZHFSHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-10(2)8-14-7-5-6-11(3,12)9-13/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol?
2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol has a molecular weight of 219.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol is sourced from PubChem (CID 107764817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).