N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride

C7H13ClN2O2S2 — CID 119962042

IUPACN-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H12N2O2S2.ClH/c8-4-2-5-9-13(10,11)7-3-1-6-12-7;/h1,3,6,9H,2,4-5,8H2;1H
InChIKeyZQRZWKBVNMEQDP-UHFFFAOYSA-N
MW256.78 g/mol
LogP0.80
Rot. Bonds5

About N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride

N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 119962042) has the molecular formula C7H13ClN2O2S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID119962042
Molecular FormulaC7H13ClN2O2S2
Molecular Weight256.78 g/mol
Exact Mass256.01
IUPAC NameN-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C7H12N2O2S2.ClH/c8-4-2-5-9-13(10,11)7-3-1-6-12-7;/h1,3,6,9H,2,4-5,8H2;1H
InChIKeyZQRZWKBVNMEQDP-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
dimethyl-[3-(thiophen-2-ylsulfonylamino)propyl]azanium
CID 7765655
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(4-cyanobutyl)thiophene-2-sulfonamide
CID 63297087
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride (CID 119962042) is N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is ZQRZWKBVNMEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S2.ClH/c8-4-2-5-9-13(10,11)7-3-1-6-12-7;/h1,3,6,9H,2,4-5,8H2;1H.
What are the key properties of N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride?
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119962042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).