N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide

C10H23N3O4S2 — CID 154550335

IUPACN-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCN(C)S(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H23N3O4S2/c1-11(7-8-12(2)18(3,14)15)10-5-6-13(9-10)19(4,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyHOPWOFFGMLZFKM-SNVBAGLBSA-N
MW313.45 g/mol
LogP-1.16
Rot. Bonds6

About N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide

N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide (PubChem CID 154550335) has the molecular formula C10H23N3O4S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide
PubChem CID154550335
Molecular FormulaC10H23N3O4S2
Molecular Weight313.45 g/mol
Exact Mass313.11
IUPAC NameN-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCN(C)S(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H23N3O4S2/c1-11(7-8-12(2)18(3,14)15)10-5-6-13(9-10)19(4,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyHOPWOFFGMLZFKM-SNVBAGLBSA-N
XLogP-1.16
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide (CID 154550335) is N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide is CN(CCN(C)S(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide?
The InChIKey is HOPWOFFGMLZFKM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23N3O4S2/c1-11(7-8-12(2)18(3,14)15)10-5-6-13(9-10)19(4,16)17/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide?
N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide has a molecular weight of 313.45 g/mol, XLogP of -1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 154550335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).