N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide

C17H33N3O3S — CID 67393561

IUPACN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-13(2)19-9-11-20(12-10-19)17(21)15-5-7-16(8-6-15)18-24(22,23)14(3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyDYQNHKBVPYOEFL-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.43
Rot. Bonds5

About N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide

N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 67393561) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide
PubChem CID67393561
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-13(2)19-9-11-20(12-10-19)17(21)15-5-7-16(8-6-15)18-24(22,23)14(3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyDYQNHKBVPYOEFL-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide (CID 67393561) is N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide is CC(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)CC1.
What is the InChIKey of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is DYQNHKBVPYOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-13(2)19-9-11-20(12-10-19)17(21)15-5-7-16(8-6-15)18-24(22,23)14(3)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide?
N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide has a molecular weight of 359.54 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 67393561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).