N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C15H25ClN2O2S — CID 119977456

IUPACN-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(12-17)11-16-2;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H
InChIKeyCEDFHFCVVLVVAM-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119977456) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119977456
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(12-17)11-16-2;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H
InChIKeyCEDFHFCVVLVVAM-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride 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-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978398
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
methyl 4-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119977610
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
methyl 1-(4-propylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732202
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119977456) is N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is CCCc1ccc(S(=O)(=O)N2CCC(CNC)C2)cc1.Cl.
What is the InChIKey of N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is CEDFHFCVVLVVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-3-4-13-5-7-15(8-6-13)20(18,19)17-10-9-14(12-17)11-16-2;/h5-8,14,16H,3-4,9-12H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119977456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).