5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide

C14H23N3O3S — CID 106072562

IUPAC5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC1CC1
InChIInChI=1S/C14H23N3O3S/c1-2-17-9-14(7-13(17)8-15-11-3-4-11)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,2-6,8,10H2,1H3
InChIKeyJRBMJTIGZQLHMK-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.83
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide

5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide (PubChem CID 106072562) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
PubChem CID106072562
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC1CC1
InChIInChI=1S/C14H23N3O3S/c1-2-17-9-14(7-13(17)8-15-11-3-4-11)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,2-6,8,10H2,1H3
InChIKeyJRBMJTIGZQLHMK-UHFFFAOYSA-N
XLogP0.83
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-propan-2-yl-5-[1-[[(3E)-4-(trifluoromethoxy)penta-1,3-dien-2-yl]amino]ethenyl]pyrrole-3-sulfonamide
CID 117712590
5-(ethylaminomethyl)-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65772047
5-(aminomethyl)-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65772249
5-(aminomethyl)-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65772439
5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
CID 65773014
N,1-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773196
1-ethyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773395
N-methyl-5-(methylaminomethyl)-1-propyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773584
N,1-dimethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773775
1-ethyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773781
N,1-dimethyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65773966
5-(aminomethyl)-1-cyclopropyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
CID 65774352

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide (CID 106072562) is 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NC2CCOC2)cc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The InChIKey is JRBMJTIGZQLHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-17-9-14(7-13(17)8-15-11-3-4-11)21(18,19)16-12-5-6-20-10-12/h7,9,11-12,15-16H,2-6,8,10H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106072562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).