2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol

C8H19NOS — CID 63967552

IUPAC2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol
SMILESCSCCCNCC(C)(C)O
InChIInChI=1S/C8H19NOS/c1-8(2,10)7-9-5-4-6-11-3/h9-10H,4-7H2,1-3H3
InChIKeyVNJFLVCJOAAQCV-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.10
Rot. Bonds6

About 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol

2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol (PubChem CID 63967552) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol
PubChem CID63967552
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol
SMILESCSCCCNCC(C)(C)O
InChIInChI=1S/C8H19NOS/c1-8(2,10)7-9-5-4-6-11-3/h9-10H,4-7H2,1-3H3
InChIKeyVNJFLVCJOAAQCV-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.10
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-1-(3-methylsulfanylpropylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol (CID 63967552) is 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol is CSCCCNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol?
The InChIKey is VNJFLVCJOAAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(2,10)7-9-5-4-6-11-3/h9-10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol?
2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol has a molecular weight of 177.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylpropylamino)propan-2-ol is sourced from PubChem (CID 63967552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).