N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine

C20H41N5O2S2 — CID 158532714

IUPACN,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine
SMILESCCCCCN.CCCS(=O)(=O)N(C)C.CCc1cnc[nH]1.CCc1cncs1
InChIInChI=1S/C5H8N2.C5H13NO2S.C5H7NS.C5H13N/c1-2-5-3-6-4-7-5;1-4-5-9(7,8)6(2)3;1-2-5-3-6-4-7-5;1-2-3-4-5-6/h3-4H,2H2,1H3,(H,6,7);4-5H2,1-3H3;3-4H,2H2,1H3;2-6H2,1H3
InChIKeyHNOKBYZLHYVSKW-UHFFFAOYSA-N
MW447.72 g/mol
LogP4.10
Rot. Bonds8

About N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine

N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine (PubChem CID 158532714) has the molecular formula C20H41N5O2S2 and a molecular weight of 447.72 g/mol. Its IUPAC name is N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine
PubChem CID158532714
Molecular FormulaC20H41N5O2S2
Molecular Weight447.72 g/mol
Exact Mass447.27
IUPAC NameN,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine
SMILESCCCCCN.CCCS(=O)(=O)N(C)C.CCc1cnc[nH]1.CCc1cncs1
InChIInChI=1S/C5H8N2.C5H13NO2S.C5H7NS.C5H13N/c1-2-5-3-6-4-7-5;1-4-5-9(7,8)6(2)3;1-2-5-3-6-4-7-5;1-2-3-4-5-6/h3-4H,2H2,1H3,(H,6,7);4-5H2,1-3H3;3-4H,2H2,1H3;2-6H2,1H3
InChIKeyHNOKBYZLHYVSKW-UHFFFAOYSA-N
XLogP4.10
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.72
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine 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,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine?
The IUPAC name of N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine (CID 158532714) is N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine.
What is the SMILES notation for N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine?
The canonical SMILES for N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine is CCCCCN.CCCS(=O)(=O)N(C)C.CCc1cnc[nH]1.CCc1cncs1.
What is the InChIKey of N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine?
The InChIKey is HNOKBYZLHYVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C5H13NO2S.C5H7NS.C5H13N/c1-2-5-3-6-4-7-5;1-4-5-9(7,8)6(2)3;1-2-5-3-6-4-7-5;1-2-3-4-5-6/h3-4H,2H2,1H3,(H,6,7);4-5H2,1-3H3;3-4H,2H2,1H3;2-6H2,1H3.
What are the key properties of N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine?
N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine has a molecular weight of 447.72 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine is sourced from PubChem (CID 158532714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).