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

C6H13N5O2S — CID 110720075

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nn[nH]n1
InChIInChI=1S/C6H13N5O2S/c1-2-5-14(12,13)7-4-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyWKMGTQCRHLNHGT-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.93
Rot. Bonds6

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

N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 110720075) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID110720075
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nn[nH]n1
InChIInChI=1S/C6H13N5O2S/c1-2-5-14(12,13)7-4-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyWKMGTQCRHLNHGT-UHFFFAOYSA-N
XLogP-0.93
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119
5-pentyl-2H-tetrazole
CID 139080284
2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 110720133
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028
N-[2-(2H-tetrazol-5-yl)ethyl]cyclopentanamine
CID 61367604
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
CID 156641933
CID 156641933
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 62038834
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
CID 90537785
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (CID 110720075) is N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is WKMGTQCRHLNHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c1-2-5-14(12,13)7-4-3-6-8-10-11-9-6/h7H,2-5H2,1H3,(H,8,9,10,11).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110720075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).