3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

C11H25N3O2S — CID 120777914

IUPAC3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C11H25N3O2S/c1-10(2)7-13(4)17(15,16)14-6-5-11(3,8-12)9-14/h10H,5-9,12H2,1-4H3
InChIKeyFEBJBJGATQBCEZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.49
Rot. Bonds5

About 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide

3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (PubChem CID 120777914) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
PubChem CID120777914
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
SMILESCC(C)CN(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C11H25N3O2S/c1-10(2)7-13(4)17(15,16)14-6-5-11(3,8-12)9-14/h10H,5-9,12H2,1-4H3
InChIKeyFEBJBJGATQBCEZ-UHFFFAOYSA-N
XLogP0.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 120778283
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
[3-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778281

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide (CID 120777914) is 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is CC(C)CN(C)S(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
The InChIKey is FEBJBJGATQBCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-10(2)7-13(4)17(15,16)14-6-5-11(3,8-12)9-14/h10H,5-9,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide?
3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 120777914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).