N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline

C19H32N2O2S — CID 110826925

IUPACN-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCCCCCCCNc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H32N2O2S/c1-3-4-5-6-8-15-20-18-11-13-19(14-12-18)24(22,23)21-16-9-7-10-17(21)2/h11-14,17,20H,3-10,15-16H2,1-2H3
InChIKeyMNEZYZQHODIJRU-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.63
Rot. Bonds9

About N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline

N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 110826925) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound NameN-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
PubChem CID110826925
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC NameN-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCCCCCCCNc1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H32N2O2S/c1-3-4-5-6-8-15-20-18-11-13-19(14-12-18)24(22,23)21-16-9-7-10-17(21)2/h11-14,17,20H,3-10,15-16H2,1-2H3
InChIKeyMNEZYZQHODIJRU-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
CID 168595112
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
4-(4-benzylpiperidin-1-yl)sulfonyl-N-hexylaniline
CID 110826840
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394

Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline (CID 110826925) is N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline is CCCCCCCNc1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is MNEZYZQHODIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-3-4-5-6-8-15-20-18-11-13-19(14-12-18)24(22,23)21-16-9-7-10-17(21)2/h11-14,17,20H,3-10,15-16H2,1-2H3.
What are the key properties of N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline?
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 352.54 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 110826925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).