2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol

C9H21NOS — CID 65337904

IUPAC2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol
SMILESCSCCCNC(C)C(C)(C)O
InChIInChI=1S/C9H21NOS/c1-8(9(2,3)11)10-6-5-7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyIYIDCMVCLYBPQR-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.49
Rot. Bonds6

About 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol

2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol (PubChem CID 65337904) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol
PubChem CID65337904
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol
SMILESCSCCCNC(C)C(C)(C)O
InChIInChI=1S/C9H21NOS/c1-8(9(2,3)11)10-6-5-7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyIYIDCMVCLYBPQR-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol (CID 65337904) is 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol is CSCCCNC(C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol?
The InChIKey is IYIDCMVCLYBPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-8(9(2,3)11)10-6-5-7-12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol?
2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol has a molecular weight of 191.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylsulfanylpropylamino)butan-2-ol is sourced from PubChem (CID 65337904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).