(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol

C8H17NO3S — CID 131037280

IUPAC(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCC1(C)CC(CO)N(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2)4-7(5-10)9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyUUGDWHGISSRFSK-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds2

About (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol

(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol (PubChem CID 131037280) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
PubChem CID131037280
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCC1(C)CC(CO)N(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2)4-7(5-10)9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3
InChIKeyUUGDWHGISSRFSK-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The IUPAC name of (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol (CID 131037280) is (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol is CC1(C)CC(CO)N(S(C)(=O)=O)C1.
What is the InChIKey of (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The InChIKey is UUGDWHGISSRFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2)4-7(5-10)9(6-8)13(3,11)12/h7,10H,4-6H2,1-3H3.
What are the key properties of (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
(4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-methylsulfonylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 131037280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).