5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide

C13H23N3O2S — CID 79356914

IUPAC5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2c[nH]c(CN)c2)C1(C)C
InChIInChI=1S/C13H23N3O2S/c1-12(2)11(13(12,3)4)8-16-19(17,18)10-5-9(6-14)15-7-10/h5,7,11,15-16H,6,8,14H2,1-4H3
InChIKeyKQUPQADCCNHWBU-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.43
Rot. Bonds5

About 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 79356914) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID79356914
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2c[nH]c(CN)c2)C1(C)C
InChIInChI=1S/C13H23N3O2S/c1-12(2)11(13(12,3)4)8-16-19(17,18)10-5-9(6-14)15-7-10/h5,7,11,15-16H,6,8,14H2,1-4H3
InChIKeyKQUPQADCCNHWBU-UHFFFAOYSA-N
XLogP1.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
CID 106081668
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide (CID 79356914) is 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide is CC1(C)C(CNS(=O)(=O)c2c[nH]c(CN)c2)C1(C)C.
What is the InChIKey of 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is KQUPQADCCNHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12(2)11(13(12,3)4)8-16-19(17,18)10-5-9(6-14)15-7-10/h5,7,11,15-16H,6,8,14H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 79356914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).