5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide

C11H17N7O2S — CID 106051402

IUPAC5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)n(C2CC2)c1)c1nn[nH]n1
InChIInChI=1S/C11H17N7O2S/c1-7(11-13-16-17-14-11)15-21(19,20)10-4-9(5-12)18(6-10)8-2-3-8/h4,6-8,15H,2-3,5,12H2,1H3,(H,13,14,16,17)
InChIKeyVPCKFGZFIHGVRM-UHFFFAOYSA-N
MW311.37 g/mol
LogP-0.17
Rot. Bonds6

About 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide

5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide (PubChem CID 106051402) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
PubChem CID106051402
Molecular FormulaC11H17N7O2S
Molecular Weight311.37 g/mol
Exact Mass311.12
IUPAC Name5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)n(C2CC2)c1)c1nn[nH]n1
InChIInChI=1S/C11H17N7O2S/c1-7(11-13-16-17-14-11)15-21(19,20)10-4-9(5-12)18(6-10)8-2-3-8/h4,6-8,15H,2-3,5,12H2,1H3,(H,13,14,16,17)
InChIKeyVPCKFGZFIHGVRM-UHFFFAOYSA-N
XLogP-0.17
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106919313
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
CID 81173672
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide (CID 106051402) is 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide is CC(NS(=O)(=O)c1cc(CN)n(C2CC2)c1)c1nn[nH]n1.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide?
The InChIKey is VPCKFGZFIHGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-7(11-13-16-17-14-11)15-21(19,20)10-4-9(5-12)18(6-10)8-2-3-8/h4,6-8,15H,2-3,5,12H2,1H3,(H,13,14,16,17).
What are the key properties of 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide?
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 106051402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).