5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide

C12H21N3O2S — CID 114102370

IUPAC5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2c[nH]c(CN)c2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-12(4-5-12)9-15-18(16,17)11-6-10(7-13)14-8-11/h6,8,14-15H,2-5,7,9,13H2,1H3
InChIKeyNLNMRKMRFMKAFQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.33
Rot. Bonds7

About 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide (PubChem CID 114102370) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
PubChem CID114102370
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
SMILESCCCC1(CNS(=O)(=O)c2c[nH]c(CN)c2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-12(4-5-12)9-15-18(16,17)11-6-10(7-13)14-8-11/h6,8,14-15H,2-5,7,9,13H2,1H3
InChIKeyNLNMRKMRFMKAFQ-UHFFFAOYSA-N
XLogP1.33
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
4-hydroxy-N-[(1-propylcyclopropyl)methyl]benzenesulfonamide
CID 114101242
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106077320
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114142660
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide (CID 114102370) is 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide is CCCC1(CNS(=O)(=O)c2c[nH]c(CN)c2)CC1.
What is the InChIKey of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is NLNMRKMRFMKAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-12(4-5-12)9-15-18(16,17)11-6-10(7-13)14-8-11/h6,8,14-15H,2-5,7,9,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).