N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine

C15H24N2O2S — CID 118527474

IUPACN-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine
SMILESCc1ccc(S(=O)(=O)CCCNC2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-3-5-15(6-4-13)20(18,19)12-2-9-17-14-7-10-16-11-8-14/h3-6,14,16-17H,2,7-12H2,1H3
InChIKeyRECIPTTXUKYYDC-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine

N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine (PubChem CID 118527474) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine
PubChem CID118527474
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine
SMILESCc1ccc(S(=O)(=O)CCCNC2CCNCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13-3-5-15(6-4-13)20(18,19)12-2-9-17-14-7-10-16-11-8-14/h3-6,14,16-17H,2,7-12H2,1H3
InChIKeyRECIPTTXUKYYDC-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenyl)sulfonylethyl]oxan-4-amine
CID 106512314
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
1-methyl-4-(4,4,4-trifluorobutylsulfonyl)benzene
CID 129132136
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
3-(4-methylphenyl)sulfonylpropane-1-sulfonic acid
CID 21412919
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine?
The IUPAC name of N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine (CID 118527474) is N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine.
What is the SMILES notation for N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine?
The canonical SMILES for N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine is Cc1ccc(S(=O)(=O)CCCNC2CCNCC2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine?
The InChIKey is RECIPTTXUKYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-3-5-15(6-4-13)20(18,19)12-2-9-17-14-7-10-16-11-8-14/h3-6,14,16-17H,2,7-12H2,1H3.
What are the key properties of N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine?
N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine is sourced from PubChem (CID 118527474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).