3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol

C6H15NO3S — CID 91387885

IUPAC3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)CCN
InChIInChI=1S/C6H15NO3S/c1-6(4-8)5-11(9,10)3-2-7/h6,8H,2-5,7H2,1H3
InChIKeyIDPWHNKIEZSIEX-UHFFFAOYSA-N
MW181.26 g/mol
LogP-1.01
Rot. Bonds5

About 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol

3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol (PubChem CID 91387885) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol
PubChem CID91387885
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)CCN
InChIInChI=1S/C6H15NO3S/c1-6(4-8)5-11(9,10)3-2-7/h6,8H,2-5,7H2,1H3
InChIKeyIDPWHNKIEZSIEX-UHFFFAOYSA-N
XLogP-1.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol (CID 91387885) is 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol is CC(CO)CS(=O)(=O)CCN.
What is the InChIKey of 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol?
The InChIKey is IDPWHNKIEZSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(4-8)5-11(9,10)3-2-7/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol?
3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol has a molecular weight of 181.26 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfonyl)-2-methylpropan-1-ol is sourced from PubChem (CID 91387885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).