N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide

C9H21N3O2S — CID 81332853

IUPACN-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide
SMILESCC1CC(NCCNS(C)(=O)=O)CN1C
InChIInChI=1S/C9H21N3O2S/c1-8-6-9(7-12(8)2)10-4-5-11-15(3,13)14/h8-11H,4-7H2,1-3H3
InChIKeyXXIRYCBDAFHGGH-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.78
Rot. Bonds5

About N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide

N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide (PubChem CID 81332853) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide
PubChem CID81332853
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide
SMILESCC1CC(NCCNS(C)(=O)=O)CN1C
InChIInChI=1S/C9H21N3O2S/c1-8-6-9(7-12(8)2)10-4-5-11-15(3,13)14/h8-11H,4-7H2,1-3H3
InChIKeyXXIRYCBDAFHGGH-UHFFFAOYSA-N
XLogP-0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide (CID 81332853) is N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide is CC1CC(NCCNS(C)(=O)=O)CN1C.
What is the InChIKey of N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide?
The InChIKey is XXIRYCBDAFHGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8-6-9(7-12(8)2)10-4-5-11-15(3,13)14/h8-11H,4-7H2,1-3H3.
What are the key properties of N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide?
N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 81332853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).