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

C10H23NOS — CID 107764946

IUPAC1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
SMILESCC(C)C(C)SCCC(C)(O)CN
InChIInChI=1S/C10H23NOS/c1-8(2)9(3)13-6-5-10(4,12)7-11/h8-9,12H,5-7,11H2,1-4H3
InChIKeyZDYQZUHARLVULP-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.86
Rot. Bonds6

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

1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol (PubChem CID 107764946) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
PubChem CID107764946
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
SMILESCC(C)C(C)SCCC(C)(O)CN
InChIInChI=1S/C10H23NOS/c1-8(2)9(3)13-6-5-10(4,12)7-11/h8-9,12H,5-7,11H2,1-4H3
InChIKeyZDYQZUHARLVULP-UHFFFAOYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
CID 96559411
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)pentan-2-ol
CID 107764947
2,2-dimethyl-4-(3-methylbutan-2-ylsulfanyl)butanimidamide
CID 107750258
2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
CID 107764728
1-amino-5-butylsulfanyl-2-methylpentan-2-ol
CID 64814257
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
2,2-dimethyl-5-(3-methylbutan-2-ylsulfanyl)pentanimidamide
CID 107750268
2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
CID 107755001
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol (CID 107764946) is 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol is CC(C)C(C)SCCC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol?
The InChIKey is ZDYQZUHARLVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(2)9(3)13-6-5-10(4,12)7-11/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol?
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.86, 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)butan-2-ol is sourced from PubChem (CID 107764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).