3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide

C9H21N3O3S — CID 73439645

IUPAC3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)CC1(O)CCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H21N3O3S/c1-10(2)7-9(13)5-6-12(8-9)16(14,15)11(3)4/h13H,5-8H2,1-4H3
InChIKeyYZFRYJVLLDOQGH-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.21
Rot. Bonds4

About 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide

3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 73439645) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID73439645
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)CC1(O)CCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H21N3O3S/c1-10(2)7-9(13)5-6-12(8-9)16(14,15)11(3)4/h13H,5-8H2,1-4H3
InChIKeyYZFRYJVLLDOQGH-UHFFFAOYSA-N
XLogP-1.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide (CID 73439645) is 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)CC1(O)CCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is YZFRYJVLLDOQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-10(2)7-9(13)5-6-12(8-9)16(14,15)11(3)4/h13H,5-8H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide?
3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 73439645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).