N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide

C17H25N5O5S — CID 55815802

IUPACN,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n(C)c1
InChIInChI=1S/C17H25N5O5S/c1-18-28(26,27)13-11-14(19(2)12-13)15(23)21-7-9-22(10-8-21)17(25)16(24)20-5-3-4-6-20/h11-12,18H,3-10H2,1-2H3
InChIKeyKAMVTWOLZHHDSK-UHFFFAOYSA-N
MW411.48 g/mol
LogP-1.16
Rot. Bonds3

About N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide

N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide (PubChem CID 55815802) has the molecular formula C17H25N5O5S and a molecular weight of 411.48 g/mol. Its IUPAC name is N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
PubChem CID55815802
Molecular FormulaC17H25N5O5S
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC NameN,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n(C)c1
InChIInChI=1S/C17H25N5O5S/c1-18-28(26,27)13-11-14(19(2)12-13)15(23)21-7-9-22(10-8-21)17(25)16(24)20-5-3-4-6-20/h11-12,18H,3-10H2,1-2H3
InChIKeyKAMVTWOLZHHDSK-UHFFFAOYSA-N
XLogP-1.16
TPSA112.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 66291736
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
5-(azepane-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367224
N,1-dimethyl-5-(3-oxopiperazine-1-carbonyl)pyrrole-3-sulfonamide
CID 35787554
5-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 34452289
N,1-dimethyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrrole-3-sulfonamide
CID 32621051
N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
CID 55815707
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
5-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-N,1-dimethylpyrrole-3-sulfonamide
CID 34403892
1-methyl-4-(methylsulfamoyl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrrole-2-carboxamide
CID 92861908
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
CID 119543393
1-methyl-5-(morpholine-4-carbonyl)pyrrole-3-sulfonamide
CID 33400694

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The IUPAC name of N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide (CID 55815802) is N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide.
What is the SMILES notation for N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The canonical SMILES for N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n(C)c1.
What is the InChIKey of N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide?
The InChIKey is KAMVTWOLZHHDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5S/c1-18-28(26,27)13-11-14(19(2)12-13)15(23)21-7-9-22(10-8-21)17(25)16(24)20-5-3-4-6-20/h11-12,18H,3-10H2,1-2H3.
What are the key properties of N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide?
N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide has a molecular weight of 411.48 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 55815802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).