2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol

C10H23NOS — CID 81411257

IUPAC2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol
SMILESCSCC(C)CNCC(C)(C)CO
InChIInChI=1S/C10H23NOS/c1-9(6-13-4)5-11-7-10(2,3)8-12/h9,11-12H,5-8H2,1-4H3
InChIKeyINRSJOJOSRDIRC-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.59
Rot. Bonds7

About 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol

2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol (PubChem CID 81411257) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol
PubChem CID81411257
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol
SMILESCSCC(C)CNCC(C)(C)CO
InChIInChI=1S/C10H23NOS/c1-9(6-13-4)5-11-7-10(2,3)8-12/h9,11-12H,5-8H2,1-4H3
InChIKeyINRSJOJOSRDIRC-UHFFFAOYSA-N
XLogP1.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol (CID 81411257) is 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol is CSCC(C)CNCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol?
The InChIKey is INRSJOJOSRDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(6-13-4)5-11-7-10(2,3)8-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol?
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-1-ol is sourced from PubChem (CID 81411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).