1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C7H16N2O3S — CID 139598945

IUPAC1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(11,12)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyQHZXWMLVFLAGCZ-NKWVEPMBSA-N
MW208.28 g/mol
LogP-1.54
Rot. Bonds3

About 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 139598945) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID139598945
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(11,12)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyQHZXWMLVFLAGCZ-NKWVEPMBSA-N
XLogP-1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 139598945) is 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1CNC[C@H]1O.
What is the InChIKey of 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is QHZXWMLVFLAGCZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-9(2)13(11,12)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 139598945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).