N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

C16H27N5O3S — CID 19585251

IUPACN-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1
InChIInChI=1S/C16H27N5O3S/c1-19-12-15(11-17-19)25(23,24)21-9-7-20(8-10-21)13-16(22)18-14-5-3-2-4-6-14/h11-12,14H,2-10,13H2,1H3,(H,18,22)
InChIKeyVUNWHSAGEDHKQQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.18
Rot. Bonds5

About N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide

N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 19585251) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID19585251
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC NameN-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1
InChIInChI=1S/C16H27N5O3S/c1-19-12-15(11-17-19)25(23,24)21-9-7-20(8-10-21)13-16(22)18-14-5-3-2-4-6-14/h11-12,14H,2-10,13H2,1H3,(H,18,22)
InChIKeyVUNWHSAGEDHKQQ-UHFFFAOYSA-N
XLogP0.18
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide (CID 19585251) is N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is Cn1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cn1.
What is the InChIKey of N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is VUNWHSAGEDHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-19-12-15(11-17-19)25(23,24)21-9-7-20(8-10-21)13-16(22)18-14-5-3-2-4-6-14/h11-12,14H,2-10,13H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 19585251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).