N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C10H21N3O4S — CID 124980188

IUPACN-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)C[C@]1(O)CCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C10H21N3O4S/c1-12(2)7-10(15)4-5-13(8-10)9(14)6-11-18(3,16)17/h11,15H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMGWWYLUFLRKWGV-SNVBAGLBSA-N
MW279.36 g/mol
LogP-1.94
Rot. Bonds5

About N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 124980188) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID124980188
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)C[C@]1(O)CCN(C(=O)CNS(C)(=O)=O)C1
InChIInChI=1S/C10H21N3O4S/c1-12(2)7-10(15)4-5-13(8-10)9(14)6-11-18(3,16)17/h11,15H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyMGWWYLUFLRKWGV-SNVBAGLBSA-N
XLogP-1.94
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 124980188) is N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CN(C)C[C@]1(O)CCN(C(=O)CNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is MGWWYLUFLRKWGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-12(2)7-10(15)4-5-13(8-10)9(14)6-11-18(3,16)17/h11,15H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of -1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 124980188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).