[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone

C17H25N3O3S — CID 120808399

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H25N3O3S/c1-17(12-18)9-11-19(13-17)16(21)15-8-5-10-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3
InChIKeyKKZAUNVCPNWWIX-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.04
Rot. Bonds4

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone (PubChem CID 120808399) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone
PubChem CID120808399
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone
SMILESCC1(CN)CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H25N3O3S/c1-17(12-18)9-11-19(13-17)16(21)15-8-5-10-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3
InChIKeyKKZAUNVCPNWWIX-UHFFFAOYSA-N
XLogP1.04
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251462
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119487072
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
(4-aminopiperidin-1-yl)-[1-(benzenesulfonyl)piperidin-2-yl]methanone;hydrochloride
CID 119373052
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 120810189
[3-(1-aminoethyl)piperidin-1-yl]-[1-(benzenesulfonyl)piperidin-2-yl]methanone
CID 119592933
[1-(benzenesulfonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398721
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
[1-(benzenesulfonyl)piperidin-2-yl]-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 43060932

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone (CID 120808399) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone is CC1(CN)CCN(C(=O)C2CCCN2S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone?
The InChIKey is KKZAUNVCPNWWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-17(12-18)9-11-19(13-17)16(21)15-8-5-10-20(15)24(22,23)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone has a molecular weight of 351.47 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 120808399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).