2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C9H21N3O2S — CID 102783794

IUPAC2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-5-4-8(3)9(12)6-10/h7-9,11H,4-6,10H2,1-3H3
InChIKeyCIACACUURWZZMZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide

2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 102783794) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID102783794
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(C)C1CN
InChIInChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-5-4-8(3)9(12)6-10/h7-9,11H,4-6,10H2,1-3H3
InChIKeyCIACACUURWZZMZ-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-3-methylpyrrolidine-1-sulfonamide
CID 102783832
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 103441437
2-(aminomethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 114810844
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 102784168
[(2R,3R)-1-(azepan-1-ylsulfonyl)-3-methylpiperidin-2-yl]methanamine
CID 124835693
[3-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 102783777
propan-2-yl N-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102786595
2-(aminomethyl)-N,N-diethyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119984924
[3-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119984879
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 119984742
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 102783794) is 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(C)C1CN.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is CIACACUURWZZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-7(2)11-15(13,14)12-5-4-8(3)9(12)6-10/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102783794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).