N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

C24H36N4O3S — CID 127039593

IUPACN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
InChIKeyJOXBOGQPSLSFIM-UHFFFAOYSA-N
MW460.64 g/mol
LogP3.49
Rot. Bonds10

About N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide

N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 127039593) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID127039593
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC NameN-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
InChIKeyJOXBOGQPSLSFIM-UHFFFAOYSA-N
XLogP3.49
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.64
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 127039593) is N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is JOXBOGQPSLSFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide?
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 460.64 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 127039593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).