1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

C17H24N4O2S — CID 86772200

IUPAC1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(NCc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H24N4O2S/c1-14-3-5-17(6-4-14)24(22,23)21-9-7-16(8-10-21)18-11-15-12-19-20(2)13-15/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyMBATYCRRTJYZTG-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.67
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine

1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 86772200) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID86772200
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(NCc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C17H24N4O2S/c1-14-3-5-17(6-4-14)24(22,23)21-9-7-16(8-10-21)18-11-15-12-19-20(2)13-15/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyMBATYCRRTJYZTG-UHFFFAOYSA-N
XLogP1.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 78870604
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 61351170
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-amine
CID 146681810
1-[4-(aminomethyl)phenyl]sulfonyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 70168461
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018187

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine (CID 86772200) is 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(NCc3cnn(C)c3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is MBATYCRRTJYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-3-5-17(6-4-14)24(22,23)21-9-7-16(8-10-21)18-11-15-12-19-20(2)13-15/h3-6,12-13,16,18H,7-11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 86772200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).