1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide

C16H30N4O2S — CID 138014095

IUPAC1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)NC1CCN(CCCC(C)C)CC1
InChIInChI=1S/C16H30N4O2S/c1-13(2)6-5-9-20-10-7-15(8-11-20)18-23(21,22)16-14(3)12-17-19(16)4/h12-13,15,18H,5-11H2,1-4H3
InChIKeyRRXUCVJPDOWTSX-UHFFFAOYSA-N
MW342.51 g/mol
LogP1.91
Rot. Bonds7

About 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide

1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide (PubChem CID 138014095) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide
PubChem CID138014095
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)NC1CCN(CCCC(C)C)CC1
InChIInChI=1S/C16H30N4O2S/c1-13(2)6-5-9-20-10-7-15(8-11-20)18-23(21,22)16-14(3)12-17-19(16)4/h12-13,15,18H,5-11H2,1-4H3
InChIKeyRRXUCVJPDOWTSX-UHFFFAOYSA-N
XLogP1.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide?
The IUPAC name of 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide (CID 138014095) is 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)NC1CCN(CCCC(C)C)CC1.
What is the InChIKey of 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide?
The InChIKey is RRXUCVJPDOWTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-13(2)6-5-9-20-10-7-15(8-11-20)18-23(21,22)16-14(3)12-17-19(16)4/h12-13,15,18H,5-11H2,1-4H3.
What are the key properties of 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide?
1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[1-(4-methylpentyl)piperidin-4-yl]pyrazole-5-sulfonamide is sourced from PubChem (CID 138014095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).