5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide

C14H27N3O2S — CID 106053812

IUPAC5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)C(C)CC)cn1C
InChIInChI=1S/C14H27N3O2S/c1-6-11(3)12(4)16-20(18,19)14-8-13(9-15-7-2)17(5)10-14/h8,10-12,15-16H,6-7,9H2,1-5H3
InChIKeyVRVIBOBZGVIMAB-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.85
Rot. Bonds8

About 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide

5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide (PubChem CID 106053812) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
PubChem CID106053812
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)C(C)CC)cn1C
InChIInChI=1S/C14H27N3O2S/c1-6-11(3)12(4)16-20(18,19)14-8-13(9-15-7-2)17(5)10-14/h8,10-12,15-16H,6-7,9H2,1-5H3
InChIKeyVRVIBOBZGVIMAB-UHFFFAOYSA-N
XLogP1.85
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106053778
1-methyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)pyrrole-3-sulfonamide
CID 106018909
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106060823
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
1-ethyl-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)pyrrole-3-sulfonamide
CID 106067660
5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218661
N-(1-ethoxy-3-methylbutan-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106093833
N-(2-ethoxypropyl)-1-methyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106078809
5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide (CID 106053812) is 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)C(C)CC)cn1C.
What is the InChIKey of 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide?
The InChIKey is VRVIBOBZGVIMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-6-11(3)12(4)16-20(18,19)14-8-13(9-15-7-2)17(5)10-14/h8,10-12,15-16H,6-7,9H2,1-5H3.
What are the key properties of 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide has a molecular weight of 301.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106053812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).