2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol

C10H21NOS — CID 103096906

IUPAC2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC=C(C)C
InChIInChI=1S/C10H21NOS/c1-9(2)5-6-11-7-10(3,12)8-13-4/h5,11-12H,6-8H2,1-4H3
InChIKeyGMOVZPLDGUBKPI-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol

2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol (PubChem CID 103096906) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol
PubChem CID103096906
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNCC=C(C)C
InChIInChI=1S/C10H21NOS/c1-9(2)5-6-11-7-10(3,12)8-13-4/h5,11-12H,6-8H2,1-4H3
InChIKeyGMOVZPLDGUBKPI-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol (CID 103096906) is 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNCC=C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol?
The InChIKey is GMOVZPLDGUBKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)5-6-11-7-10(3,12)8-13-4/h5,11-12H,6-8H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol?
2-methyl-1-(3-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.66, 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-methylbut-2-enylamino)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103096906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).