N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide

C18H38N2O4S2 — CID 22743256

IUPACN-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCC1CCC(CCCNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C18H38N2O4S2/c1-15(2)25(21,22)19-13-5-7-17-9-11-18(12-10-17)8-6-14-20-26(23,24)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyONUDKRZIKFGSDG-UHFFFAOYSA-N
MW410.65 g/mol
LogP3.01
Rot. Bonds12

About N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide

N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide (PubChem CID 22743256) has the molecular formula C18H38N2O4S2 and a molecular weight of 410.65 g/mol. Its IUPAC name is N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide
PubChem CID22743256
Molecular FormulaC18H38N2O4S2
Molecular Weight410.65 g/mol
Exact Mass410.23
IUPAC NameN-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCC1CCC(CCCNS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C18H38N2O4S2/c1-15(2)25(21,22)19-13-5-7-17-9-11-18(12-10-17)8-6-14-20-26(23,24)16(3)4/h15-20H,5-14H2,1-4H3
InChIKeyONUDKRZIKFGSDG-UHFFFAOYSA-N
XLogP3.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-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 N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide (CID 22743256) is N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCC1CCC(CCCNS(=O)(=O)C(C)C)CC1.
What is the InChIKey of N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide?
The InChIKey is ONUDKRZIKFGSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O4S2/c1-15(2)25(21,22)19-13-5-7-17-9-11-18(12-10-17)8-6-14-20-26(23,24)16(3)4/h15-20H,5-14H2,1-4H3.
What are the key properties of N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide?
N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide has a molecular weight of 410.65 g/mol, XLogP of 3.01, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(propan-2-ylsulfonylamino)propyl]cyclohexyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 22743256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).