3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide

C8H18N6O2S — CID 106051367

IUPAC3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C8H18N6O2S/c1-3-9-5-4-6-17(15,16)12-7(2)8-10-13-14-11-8/h7,9,12H,3-6H2,1-2H3,(H,10,11,13,14)
InChIKeyRDUBLHCDSORKHP-UHFFFAOYSA-N
MW262.34 g/mol
LogP-0.82
Rot. Bonds8

About 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 106051367) has the molecular formula C8H18N6O2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID106051367
Molecular FormulaC8H18N6O2S
Molecular Weight262.34 g/mol
Exact Mass262.12
IUPAC Name3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C8H18N6O2S/c1-3-9-5-4-6-17(15,16)12-7(2)8-10-13-14-11-8/h7,9,12H,3-6H2,1-2H3,(H,10,11,13,14)
InChIKeyRDUBLHCDSORKHP-UHFFFAOYSA-N
XLogP-0.82
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]ethanesulfonamide
CID 107651825
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
1-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-2-sulfonamide
CID 106051381
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 106051448
4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051386
2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106051327
N-[1-(2H-tetrazol-5-yl)ethyl]dodecan-1-amine
CID 71211357
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (CID 106051367) is 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is RDUBLHCDSORKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N6O2S/c1-3-9-5-4-6-17(15,16)12-7(2)8-10-13-14-11-8/h7,9,12H,3-6H2,1-2H3,(H,10,11,13,14).
What are the key properties of 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 262.34 g/mol, XLogP of -0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106051367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).