3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide

C16H23N3O3S — CID 119486514

IUPAC3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNCC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
InChIInChI=1S/C16H23N3O3S/c17-9-13-6-7-19(11-13)16(20)14-2-1-3-15(8-14)23(21,22)18-10-12-4-5-12/h1-3,8,12-13,18H,4-7,9-11,17H2
InChIKeySGHMKNNMUBHGTK-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.80
Rot. Bonds6

About 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 119486514) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID119486514
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNCC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
InChIInChI=1S/C16H23N3O3S/c17-9-13-6-7-19(11-13)16(20)14-2-1-3-15(8-14)23(21,22)18-10-12-4-5-12/h1-3,8,12-13,18H,4-7,9-11,17H2
InChIKeySGHMKNNMUBHGTK-UHFFFAOYSA-N
XLogP0.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(1-phenylethyl)benzenesulfonamide
CID 119485029
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide;hydrochloride
CID 119484922
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 119538468
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259392

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide (CID 119486514) is 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide is NCC1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1.
What is the InChIKey of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is SGHMKNNMUBHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-9-13-6-7-19(11-13)16(20)14-2-1-3-15(8-14)23(21,22)18-10-12-4-5-12/h1-3,8,12-13,18H,4-7,9-11,17H2.
What are the key properties of 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide?
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 119486514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).