1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide

C12H28N2O2S2 — CID 106090471

IUPAC1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCCCCCSC
InChIInChI=1S/C12H28N2O2S2/c1-4-13-11-12(2)18(15,16)14-9-7-5-6-8-10-17-3/h12-14H,4-11H2,1-3H3
InChIKeyZMRQGEWZSPDCPR-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.83
Rot. Bonds12

About 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide

1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide (PubChem CID 106090471) has the molecular formula C12H28N2O2S2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
PubChem CID106090471
Molecular FormulaC12H28N2O2S2
Molecular Weight296.50 g/mol
Exact Mass296.16
IUPAC Name1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NCCCCCCSC
InChIInChI=1S/C12H28N2O2S2/c1-4-13-11-12(2)18(15,16)14-9-7-5-6-8-10-17-3/h12-14H,4-11H2,1-3H3
InChIKeyZMRQGEWZSPDCPR-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)-N-(6-methylsulfanylhexyl)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-(6-methylsulfanylhexyl)-1-(propylamino)propane-2-sulfonamide
CID 106090470
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
CID 106093649
N-(3,3-dimethylbutyl)-1-(ethylamino)propane-2-sulfonamide
CID 106085654
N-(5-methylsulfanylpentyl)ethanesulfonamide
CID 104922242
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954
N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
1-bromo-N-(5-methylsulfanylpentyl)methanesulfonamide
CID 104922278
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide (CID 106090471) is 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NCCCCCCSC.
What is the InChIKey of 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide?
The InChIKey is ZMRQGEWZSPDCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S2/c1-4-13-11-12(2)18(15,16)14-9-7-5-6-8-10-17-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide?
1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide has a molecular weight of 296.50 g/mol, XLogP of 1.83, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(6-methylsulfanylhexyl)propane-2-sulfonamide is sourced from PubChem (CID 106090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).