(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol

C6H15NOS — CID 96559411

IUPAC(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC[C@@](C)(O)CN
InChIInChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyHKODJSHFBDQXRV-ZCFIWIBFSA-N
MW149.26 g/mol
LogP0.45
Rot. Bonds4

About (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol

(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol (PubChem CID 96559411) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
PubChem CID96559411
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol
SMILESCSCC[C@@](C)(O)CN
InChIInChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyHKODJSHFBDQXRV-ZCFIWIBFSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
CID 95241001
1-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butan-2-ol
CID 107764946
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
1-amino-5-butylsulfanyl-2-methylpentan-2-ol
CID 64814257
1-amino-4-benzylsulfanyl-2-methylbutan-2-ol
CID 64814024
1-ethyl-3-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)urea
CID 71787402
(2S)-2-amino-2-hydroxy-4-methylsulfanylbutanoic acid
CID 45082567
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-N'-(2,2,2-trifluoroethyl)oxamide
CID 71787397
1-amino-5-(4-chlorophenyl)sulfanyl-2-methylpentan-2-ol
CID 64813219
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)cyclopropanecarboxamide
CID 71787256

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The IUPAC name of (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol (CID 96559411) is (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The canonical SMILES for (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol is CSCC[C@@](C)(O)CN.
What is the InChIKey of (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
The InChIKey is HKODJSHFBDQXRV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(8,5-7)3-4-9-2/h8H,3-5,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol?
(2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol has a molecular weight of 149.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-methyl-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 96559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).