1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide

C16H28N4O3S — CID 16673860

IUPAC1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cn1
InChIInChI=1S/C16H28N4O3S/c1-2-20-13-15(12-17-20)24(21,22)18-14-16(6-4-3-5-7-16)19-8-10-23-11-9-19/h12-13,18H,2-11,14H2,1H3
InChIKeyYURMFVSQWNDNEJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.22
Rot. Bonds6

About 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide (PubChem CID 16673860) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
PubChem CID16673860
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cn1
InChIInChI=1S/C16H28N4O3S/c1-2-20-13-15(12-17-20)24(21,22)18-14-16(6-4-3-5-7-16)19-8-10-23-11-9-19/h12-13,18H,2-11,14H2,1H3
InChIKeyYURMFVSQWNDNEJ-UHFFFAOYSA-N
XLogP1.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide (CID 16673860) is 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cn1.
What is the InChIKey of 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is YURMFVSQWNDNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-2-20-13-15(12-17-20)24(21,22)18-14-16(6-4-3-5-7-16)19-8-10-23-11-9-19/h12-13,18H,2-11,14H2,1H3.
What are the key properties of 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16673860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).