dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium

C9H17N2O2S2+ — CID 7765655

IUPACdimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
SMILESC[NH+](C)CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C9H16N2O2S2/c1-11(2)7-4-6-10-15(12,13)9-5-3-8-14-9/h3,5,8,10H,4,6-7H2,1-2H3/p+1
InChIKeyPNPPOXIDFRWDOH-UHFFFAOYSA-O
MW249.38 g/mol
LogP-0.44
Rot. Bonds6

About dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium

dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium (PubChem CID 7765655) has the molecular formula C9H17N2O2S2+ and a molecular weight of 249.38 g/mol. Its IUPAC name is dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
PubChem CID7765655
Molecular FormulaC9H17N2O2S2+
Molecular Weight249.38 g/mol
Exact Mass249.07
IUPAC Namedimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
SMILESC[NH+](C)CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C9H16N2O2S2/c1-11(2)7-4-6-10-15(12,13)9-5-3-8-14-9/h3,5,8,10H,4,6-7H2,1-2H3/p+1
InChIKeyPNPPOXIDFRWDOH-UHFFFAOYSA-O
XLogP-0.44
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentylthiophene-2-sulfonamide
CID 5150701
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium?
The IUPAC name of dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium (CID 7765655) is dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium.
What is the SMILES notation for dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium?
The canonical SMILES for dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium is C[NH+](C)CCCNS(=O)(=O)c1cccs1.
What is the InChIKey of dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium?
The InChIKey is PNPPOXIDFRWDOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2O2S2/c1-11(2)7-4-6-10-15(12,13)9-5-3-8-14-9/h3,5,8,10H,4,6-7H2,1-2H3/p+1.
What are the key properties of dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium?
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium has a molecular weight of 249.38 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium is sourced from PubChem (CID 7765655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).