N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H23N3O2S2 — CID 106051741

IUPACN-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCCCN(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-13-9-11-8-12(10-18-11)19(16,17)14-6-4-5-7-15(2)3/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyDZACVRRKJLJACJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.09
Rot. Bonds9

About N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide

N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106051741) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106051741
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC NameN-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCCCCN(C)C)cs1
InChIInChI=1S/C12H23N3O2S2/c1-13-9-11-8-12(10-18-11)19(16,17)14-6-4-5-7-15(2)3/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyDZACVRRKJLJACJ-UHFFFAOYSA-N
XLogP1.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.09
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-[2-[ethyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141007
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106010442
N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106051741) is N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCCCCN(C)C)cs1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is DZACVRRKJLJACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-13-9-11-8-12(10-18-11)19(16,17)14-6-4-5-7-15(2)3/h8,10,13-14H,4-7,9H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 305.47 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).