N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide

C9H21N3O2S — CID 115302890

IUPACN-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O2S/c1-9(7-10-2)8-11-15(13,14)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3
InChIKeyKOOLZFAGYHQTNU-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.23
Rot. Bonds6

About N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide

N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide (PubChem CID 115302890) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
PubChem CID115302890
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
SMILESCNCC(C)CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H21N3O2S/c1-9(7-10-2)8-11-15(13,14)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3
InChIKeyKOOLZFAGYHQTNU-UHFFFAOYSA-N
XLogP-0.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
4-tert-butyl-N-[(2R)-2-methyl-3-(methylamino)propyl]piperidine-1-sulfonamide
CID 99782079
N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide (CID 115302890) is N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide is CNCC(C)CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is KOOLZFAGYHQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(7-10-2)8-11-15(13,14)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide?
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 115302890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).