4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C14H23ClN2O2S — CID 120585465

IUPAC4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)19(17,18)16-9-11(2)14(15)10-16;/h5-8,11,14H,3-4,9-10,15H2,1-2H3;1H
InChIKeyVYFMGPYENIYVMZ-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.03
Rot. Bonds4

About 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585465) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120585465
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)19(17,18)16-9-11(2)14(15)10-16;/h5-8,11,14H,3-4,9-10,15H2,1-2H3;1H
InChIKeyVYFMGPYENIYVMZ-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103576455
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585444
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(3aR,7aS)-2-(4-ethylphenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598536
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
3-bromo-1-(4-propylphenyl)sulfonylpiperidine
CID 80676471

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120585465) is 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is CCCc1ccc(S(=O)(=O)N2CC(C)C(N)C2)cc1.Cl.
What is the InChIKey of 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is VYFMGPYENIYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)19(17,18)16-9-11(2)14(15)10-16;/h5-8,11,14H,3-4,9-10,15H2,1-2H3;1H.
What are the key properties of 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).