1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol

C11H25NOS — CID 107764947

IUPAC1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
SMILESCC(CC(C)(O)CN)SC(C)C(C)C
InChIInChI=1S/C11H25NOS/c1-8(2)10(4)14-9(3)6-11(5,13)7-12/h8-10,13H,6-7,12H2,1-5H3
InChIKeyCSECJFBIQKICOJ-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.25
Rot. Bonds6

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

1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol (PubChem CID 107764947) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
PubChem CID107764947
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
SMILESCC(CC(C)(O)CN)SC(C)C(C)C
InChIInChI=1S/C11H25NOS/c1-8(2)10(4)14-9(3)6-11(5,13)7-12/h8-10,13H,6-7,12H2,1-5H3
InChIKeyCSECJFBIQKICOJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
CID 107764946
1-amino-4-cyclopentylsulfanyl-2-methylpentan-2-ol
CID 64815274
2-methyl-4-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 107755844
1-amino-4-(dipropylamino)-2-methylpentan-2-ol
CID 64819639
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
CID 64814421
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
1-amino-2-methyl-4-[methyl(2-methylbutyl)amino]pentan-2-ol
CID 64820668
(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
CID 95241001

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol (CID 107764947) is 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol is CC(CC(C)(O)CN)SC(C)C(C)C.
What is the InChIKey of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol?
The InChIKey is CSECJFBIQKICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-8(2)10(4)14-9(3)6-11(5,13)7-12/h8-10,13H,6-7,12H2,1-5H3.
What are the key properties of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol?
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol has a molecular weight of 219.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol is sourced from PubChem (CID 107764947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).