5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide

C14H27N3O2S2 — CID 106095124

IUPAC5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCCN(C)C(C)C)cs1
InChIInChI=1S/C14H27N3O2S2/c1-5-15-10-13-9-14(11-20-13)21(18,19)16-7-6-8-17(4)12(2)3/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyGJCXRCNYPPDVPU-UHFFFAOYSA-N
MW333.52 g/mol
LogP1.87
Rot. Bonds10

About 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide (PubChem CID 106095124) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
PubChem CID106095124
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCCN(C)C(C)C)cs1
InChIInChI=1S/C14H27N3O2S2/c1-5-15-10-13-9-14(11-20-13)21(18,19)16-7-6-8-17(4)12(2)3/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyGJCXRCNYPPDVPU-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106051741
N-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581259
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
N-[2-(2-methylpropoxy)ethyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085324
N-[(4-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 107165869
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide (CID 106095124) is 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCCN(C)C(C)C)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide?
The InChIKey is GJCXRCNYPPDVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-5-15-10-13-9-14(11-20-13)21(18,19)16-7-6-8-17(4)12(2)3/h9,11-12,15-16H,5-8,10H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide has a molecular weight of 333.52 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106095124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).