5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide

C14H25N3O3S — CID 106072593

IUPAC5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCOC2)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-4-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3
InChIKeySRAHYZBBQJUQGD-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.25
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 106072593) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
PubChem CID106072593
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCOC2)cn1C(C)C
InChIInChI=1S/C14H25N3O3S/c1-4-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3
InChIKeySRAHYZBBQJUQGD-UHFFFAOYSA-N
XLogP1.25
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
CID 106072487
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106057236
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
5-chloro-3-(ethylaminomethyl)-2-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072508
5-(ethylaminomethyl)-1-methyl-N-(1-methylpiperidin-3-yl)pyrrole-3-sulfonamide
CID 106017836
1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide (CID 106072593) is 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC2CCOC2)cn1C(C)C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is SRAHYZBBQJUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-15-8-13-7-14(9-17(13)11(2)3)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,4-6,8,10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 106072593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).