N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide

C16H26N4O2S2 — CID 90944908

IUPACN-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(C2CSN=N2)cc1
InChIInChI=1S/C16H26N4O2S2/c1-13(2)24(21,22)18-11-5-3-4-10-17-15-8-6-14(7-9-15)16-12-23-20-19-16/h6-9,13,16-18H,3-5,10-12H2,1-2H3
InChIKeyLHPYPLRXOPNNBH-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.75
Rot. Bonds10

About N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide

N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide (PubChem CID 90944908) has the molecular formula C16H26N4O2S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide
PubChem CID90944908
Molecular FormulaC16H26N4O2S2
Molecular Weight370.54 g/mol
Exact Mass370.15
IUPAC NameN-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(C2CSN=N2)cc1
InChIInChI=1S/C16H26N4O2S2/c1-13(2)24(21,22)18-11-5-3-4-10-17-15-8-6-14(7-9-15)16-12-23-20-19-16/h6-9,13,16-18H,3-5,10-12H2,1-2H3
InChIKeyLHPYPLRXOPNNBH-UHFFFAOYSA-N
XLogP3.75
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]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

Related Compounds

N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
CID 70938775
N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
CID 118376544
N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
CID 70939605
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59549747
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
CID 59549730
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
CID 59230593
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide
CID 59230914
N-[5-(4-butoxy-3-hydroxyanilino)pentyl]propane-2-sulfonamide
CID 70939723
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629316
N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629977
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide (CID 90944908) is N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1ccc(C2CSN=N2)cc1.
What is the InChIKey of N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide?
The InChIKey is LHPYPLRXOPNNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S2/c1-13(2)24(21,22)18-11-5-3-4-10-17-15-8-6-14(7-9-15)16-12-23-20-19-16/h6-9,13,16-18H,3-5,10-12H2,1-2H3.
What are the key properties of N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide?
N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide has a molecular weight of 370.54 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4,5-dihydrothiadiazol-4-yl)anilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 90944908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).