N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide

C12H21N3O2S — CID 60806594

IUPACN-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C12H21N3O2S/c1-3-15(11-4-7-13-8-5-11)18(16,17)12-6-9-14(2)10-12/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyBSCXLBCKSYXHEE-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.79
Rot. Bonds4

About N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide

N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide (PubChem CID 60806594) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
PubChem CID60806594
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C12H21N3O2S/c1-3-15(11-4-7-13-8-5-11)18(16,17)12-6-9-14(2)10-12/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyBSCXLBCKSYXHEE-UHFFFAOYSA-N
XLogP0.79
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 70653674
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide?
The IUPAC name of N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide (CID 60806594) is N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide?
The canonical SMILES for N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide?
The InChIKey is BSCXLBCKSYXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-15(11-4-7-13-8-5-11)18(16,17)12-6-9-14(2)10-12/h6,9-11,13H,3-5,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide?
N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-piperidin-4-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 60806594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).