(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide

C15H19N3O3S — CID 89149991

IUPAC(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide
SMILESNC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H19N3O3S/c16-15(19)14(17-18-9-1-2-10-18)11-3-5-12(6-4-11)22(20,21)13-7-8-13/h3-6,13H,1-2,7-10H2,(H2,16,19)/b17-14+
InChIKeyNSEKXLOKXFWZQE-SAPNQHFASA-N
MW321.40 g/mol
LogP0.91
Rot. Bonds5

About (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide

(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide (PubChem CID 89149991) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide.

Molecular Properties

Compound Name(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide
PubChem CID89149991
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide
SMILESNC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H19N3O3S/c16-15(19)14(17-18-9-1-2-10-18)11-3-5-12(6-4-11)22(20,21)13-7-8-13/h3-6,13H,1-2,7-10H2,(H2,16,19)/b17-14+
InChIKeyNSEKXLOKXFWZQE-SAPNQHFASA-N
XLogP0.91
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetic acid
CID 75075997
methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate
CID 59285061
4-cycloheptylsulfonylbenzoic acid
CID 82925823
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
CID 82501901
4-[[2-[[(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetyl]amino]-1,3-thiazol-5-yl]methyl]-N-methylpiperazine-1-carboxamide
CID 59285103
2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(dimethylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyrrolidin-1-yliminoacetamide
CID 74384106
4-methylsulfonyl-N-(N'-pyrrolidin-1-ylcarbamimidoyl)benzamide
CID 154138065
(3R)-1-(4-cyclopentylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125134764
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(2E)-N-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-pyrrolidin-1-yliminoacetamide
CID 59285024
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide?
The IUPAC name of (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide (CID 89149991) is (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide.
What is the SMILES notation for (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide?
The canonical SMILES for (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide is NC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide?
The InChIKey is NSEKXLOKXFWZQE-SAPNQHFASA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-15(19)14(17-18-9-1-2-10-18)11-3-5-12(6-4-11)22(20,21)13-7-8-13/h3-6,13H,1-2,7-10H2,(H2,16,19)/b17-14+.
What are the key properties of (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide?
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide has a molecular weight of 321.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide is sourced from PubChem (CID 89149991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).