1-amino-3-ethylsulfanyl-2-methylpropan-2-ol

C6H15NOS — CID 64814892

IUPAC1-amino-3-ethylsulfanyl-2-methylpropan-2-ol
SMILESCCSCC(C)(O)CN
InChIInChI=1S/C6H15NOS/c1-3-9-5-6(2,8)4-7/h8H,3-5,7H2,1-2H3
InChIKeyUQQPMKGEHUOTOQ-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.45
Rot. Bonds4

About 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol

1-amino-3-ethylsulfanyl-2-methylpropan-2-ol (PubChem CID 64814892) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-ethylsulfanyl-2-methylpropan-2-ol
PubChem CID64814892
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name1-amino-3-ethylsulfanyl-2-methylpropan-2-ol
SMILESCCSCC(C)(O)CN
InChIInChI=1S/C6H15NOS/c1-3-9-5-6(2,8)4-7/h8H,3-5,7H2,1-2H3
InChIKeyUQQPMKGEHUOTOQ-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol (CID 64814892) is 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol is CCSCC(C)(O)CN.
What is the InChIKey of 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol?
The InChIKey is UQQPMKGEHUOTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-9-5-6(2,8)4-7/h8H,3-5,7H2,1-2H3.
What are the key properties of 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol?
1-amino-3-ethylsulfanyl-2-methylpropan-2-ol has a molecular weight of 149.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylsulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 64814892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).