(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol

C9H21NOS — CID 134903532

IUPAC(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol
SMILESCC(C)CSC(C)(C)[C@@H](N)CO
InChIInChI=1S/C9H21NOS/c1-7(2)6-12-9(3,4)8(10)5-11/h7-8,11H,5-6,10H2,1-4H3/t8-/m0/s1
InChIKeyWFCUGNDMTCDFSP-QMMMGPOBSA-N
MW191.34 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol

(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol (PubChem CID 134903532) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol
PubChem CID134903532
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol
SMILESCC(C)CSC(C)(C)[C@@H](N)CO
InChIInChI=1S/C9H21NOS/c1-7(2)6-12-9(3,4)8(10)5-11/h7-8,11H,5-6,10H2,1-4H3/t8-/m0/s1
InChIKeyWFCUGNDMTCDFSP-QMMMGPOBSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Methioninol
CID 2724404
Methioninol, (+-)-
CID 102901
(2R)-2-amino-4-(methylsulfanyl)butan-1-ol
CID 7000073
(2S)-2-amino-3-methyl-3-(methylsulfanyl)butan-1-ol
CID 45791381
(s)-Methioninol
CID 6994412
2-Amino-3-(2-fluoropentylsulfanyl)propan-1-ol
CID 87331184
(2R)-1-hydroxy-4-(methylsulfanyl)butan-2-aminium
CID 7000072
3-(3-Amino-1,1,1-trifluorobutan-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105091
2-Amino-3-butylsulfanylpropan-1-ol;hydrochloride
CID 24195331
2-Amino-3-propan-2-ylsulfanylpropan-1-ol;hydrochloride
CID 24196474
(2R)-2-amino-3-tert-butylsulfanylpropan-1-ol
CID 12064601
2-Amino-4-[2-(3-amino-4-hydroxybutyl)sulfanylethylsulfanyl]butan-1-ol
CID 13051963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol?
The IUPAC name of (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol (CID 134903532) is (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol is CC(C)CSC(C)(C)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol?
The InChIKey is WFCUGNDMTCDFSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NOS/c1-7(2)6-12-9(3,4)8(10)5-11/h7-8,11H,5-6,10H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol?
(2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol has a molecular weight of 191.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-3-(2-methylpropylsulfanyl)butan-1-ol is sourced from PubChem (CID 134903532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).