1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol

C10H20F2N2O3S — CID 138017490

IUPAC1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCC(O)(CNC[C@H]1CCCN1S(C)(=O)=O)C(F)F
InChIInChI=1S/C10H20F2N2O3S/c1-10(15,9(11)12)7-13-6-8-4-3-5-14(8)18(2,16)17/h8-9,13,15H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyMMLNMQZUNRCNCW-HNHGDDPOSA-N
MW286.34 g/mol
LogP0.02
Rot. Bonds6

About 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol

1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol (PubChem CID 138017490) has the molecular formula C10H20F2N2O3S and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol
PubChem CID138017490
Molecular FormulaC10H20F2N2O3S
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESCC(O)(CNC[C@H]1CCCN1S(C)(=O)=O)C(F)F
InChIInChI=1S/C10H20F2N2O3S/c1-10(15,9(11)12)7-13-6-8-4-3-5-14(8)18(2,16)17/h8-9,13,15H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyMMLNMQZUNRCNCW-HNHGDDPOSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol (CID 138017490) is 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol is CC(O)(CNC[C@H]1CCCN1S(C)(=O)=O)C(F)F.
What is the InChIKey of 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol?
The InChIKey is MMLNMQZUNRCNCW-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H20F2N2O3S/c1-10(15,9(11)12)7-13-6-8-4-3-5-14(8)18(2,16)17/h8-9,13,15H,3-7H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol?
1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol has a molecular weight of 286.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-3-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 138017490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).