2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol

C8H13NO3S — CID 116855267

IUPAC2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
SMILESCC(C)(CO)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H13NO3S/c1-8(2,6-10)13(11,12)7-3-4-9-5-7/h3-5,9-10H,6H2,1-2H3
InChIKeyJYWAWYKNFXXXBD-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol

2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol (PubChem CID 116855267) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
PubChem CID116855267
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
SMILESCC(C)(CO)S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H13NO3S/c1-8(2,6-10)13(11,12)7-3-4-9-5-7/h3-5,9-10H,6H2,1-2H3
InChIKeyJYWAWYKNFXXXBD-UHFFFAOYSA-N
XLogP0.56
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol (CID 116855267) is 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol is CC(C)(CO)S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol?
The InChIKey is JYWAWYKNFXXXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2,6-10)13(11,12)7-3-4-9-5-7/h3-5,9-10H,6H2,1-2H3.
What are the key properties of 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol?
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol has a molecular weight of 203.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol is sourced from PubChem (CID 116855267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).