N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

C11H21N3O2S2 — CID 114132383

IUPACN-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H21N3O2S2/c1-12-9-10-11(5-8-17-10)18(15,16)13-6-4-7-14(2)3/h5,8,12-13H,4,6-7,9H2,1-3H3
InChIKeyKLFACUCNWQBBTC-UHFFFAOYSA-N
MW291.44 g/mol
LogP0.70
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 114132383) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID114132383
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCCN(C)C
InChIInChI=1S/C11H21N3O2S2/c1-12-9-10-11(5-8-17-10)18(15,16)13-6-4-7-14(2)3/h5,8,12-13H,4,6-7,9H2,1-3H3
InChIKeyKLFACUCNWQBBTC-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 50.70
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

2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132259
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
N-(3-methoxy-2-methylpropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106050753
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 114132383) is N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is KLFACUCNWQBBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-12-9-10-11(5-8-17-10)18(15,16)13-6-4-7-14(2)3/h5,8,12-13H,4,6-7,9H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114132383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).