4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride

C17H33ClN4O3S — CID 119292583

IUPAC4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C17H32N4O3S.ClH/c1-19(15-7-3-2-4-8-15)25(23,24)21-13-11-20(12-14-21)16(22)17(18)9-5-6-10-17;/h15H,2-14,18H2,1H3;1H
InChIKeyPDXPOJOBWRMFHQ-UHFFFAOYSA-N
MW409.00 g/mol
LogP1.33
Rot. Bonds4

About 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride

4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride (PubChem CID 119292583) has the molecular formula C17H33ClN4O3S and a molecular weight of 409.00 g/mol. Its IUPAC name is 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
PubChem CID119292583
Molecular FormulaC17H33ClN4O3S
Molecular Weight409.00 g/mol
Exact Mass408.20
IUPAC Name4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(N)CCCC2)CC1.Cl
InChIInChI=1S/C17H32N4O3S.ClH/c1-19(15-7-3-2-4-8-15)25(23,24)21-13-11-20(12-14-21)16(22)17(18)9-5-6-10-17;/h15H,2-14,18H2,1H3;1H
InChIKeyPDXPOJOBWRMFHQ-UHFFFAOYSA-N
XLogP1.33
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.00
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride (CID 119292583) is 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(N)CCCC2)CC1.Cl.
What is the InChIKey of 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The InChIKey is PDXPOJOBWRMFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S.ClH/c1-19(15-7-3-2-4-8-15)25(23,24)21-13-11-20(12-14-21)16(22)17(18)9-5-6-10-17;/h15H,2-14,18H2,1H3;1H.
What are the key properties of 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride has a molecular weight of 409.00 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119292583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).