5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide

C12H23N3O2S — CID 114141293

IUPAC5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H23N3O2S/c1-4-10(5-2)9(3)15-18(16,17)12-6-11(7-13)14-8-12/h6,8-10,14-15H,4-5,7,13H2,1-3H3
InChIKeyLTRQUWPQWDJSBR-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.58
Rot. Bonds7

About 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 114141293) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID114141293
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H23N3O2S/c1-4-10(5-2)9(3)15-18(16,17)12-6-11(7-13)14-8-12/h6,8-10,14-15H,4-5,7,13H2,1-3H3
InChIKeyLTRQUWPQWDJSBR-UHFFFAOYSA-N
XLogP1.58
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106009233
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
3-(aminomethyl)-N-(3-ethylpentan-2-yl)-4-methylbenzenesulfonamide
CID 106063338
5-(aminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106022849
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide (CID 114141293) is 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is LTRQUWPQWDJSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-10(5-2)9(3)15-18(16,17)12-6-11(7-13)14-8-12/h6,8-10,14-15H,4-5,7,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114141293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).