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

C17H33N3O3S — CID 67393920

IUPACN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-4-13-24(22,23)18-16-7-5-15(6-8-16)17(21)20-11-9-19(10-12-20)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyBNCZOEGWSSODCU-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.43
Rot. Bonds6

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

N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 67393920) 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-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide
PubChem CID67393920
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-4-13-24(22,23)18-16-7-5-15(6-8-16)17(21)20-11-9-19(10-12-20)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyBNCZOEGWSSODCU-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-1-sulfonamide?
The IUPAC name of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide (CID 67393920) is N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCC(C(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is BNCZOEGWSSODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-4-13-24(22,23)18-16-7-5-15(6-8-16)17(21)20-11-9-19(10-12-20)14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide?
N-[4-(4-propan-2-ylpiperazine-1-carbonyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 359.54 g/mol, XLogP of 1.43, 6 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-1-sulfonamide is sourced from PubChem (CID 67393920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).