4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide

C16H27N5O3S — CID 71844962

IUPAC4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-18-12-14(11-17-18)13-19(2)25(23,24)21-9-7-20(8-10-21)16(22)15-5-3-4-6-15/h11-12,15H,3-10,13H2,1-2H3
InChIKeyKPOPAGZOIOZGOH-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.43
Rot. Bonds5

About 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide

4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 71844962) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID71844962
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-18-12-14(11-17-18)13-19(2)25(23,24)21-9-7-20(8-10-21)16(22)15-5-3-4-6-15/h11-12,15H,3-10,13H2,1-2H3
InChIKeyKPOPAGZOIOZGOH-UHFFFAOYSA-N
XLogP0.43
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide (CID 71844962) is 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is KPOPAGZOIOZGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-18-12-14(11-17-18)13-19(2)25(23,24)21-9-7-20(8-10-21)16(22)15-5-3-4-6-15/h11-12,15H,3-10,13H2,1-2H3.
What are the key properties of 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide?
4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 71844962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).