[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

C18H27N3O3S — CID 119486439

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C18H27N3O3S/c1-14-5-2-3-9-21(14)25(23,24)17-7-4-6-16(11-17)18(22)20-10-8-15(12-19)13-20/h4,6-7,11,14-15H,2-3,5,8-10,12-13,19H2,1H3
InChIKeyOBQCGGKVZYYSSO-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.67
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 119486439) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID119486439
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C18H27N3O3S/c1-14-5-2-3-9-21(14)25(23,24)17-7-4-6-16(11-17)18(22)20-10-8-15(12-19)13-20/h4,6-7,11,14-15H,2-3,5,8-10,12-13,19H2,1H3
InChIKeyOBQCGGKVZYYSSO-UHFFFAOYSA-N
XLogP1.67
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

(3-methylpiperazin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119579874
[3-(aminomethyl)pyrrolidin-1-yl]-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]methanone
CID 74246694
(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108
[4-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330142
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
(2R)-1-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119371631
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 119486439) is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCC(CN)C2)c1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is OBQCGGKVZYYSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-5-2-3-9-21(14)25(23,24)17-7-4-6-16(11-17)18(22)20-10-8-15(12-19)13-20/h4,6-7,11,14-15H,2-3,5,8-10,12-13,19H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 365.50 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 119486439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).