1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide

C8H15ClN2O4S — CID 60958828

IUPAC1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)CCCCl
InChIInChI=1S/C8H15ClN2O4S/c9-2-1-3-16(14,15)11-5-6(12)4-7(11)8(10)13/h6-7,12H,1-5H2,(H2,10,13)
InChIKeyAJAYGHPEEZLQLX-UHFFFAOYSA-N
MW270.74 g/mol
LogP-1.13
Rot. Bonds5

About 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60958828) has the molecular formula C8H15ClN2O4S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60958828
Molecular FormulaC8H15ClN2O4S
Molecular Weight270.74 g/mol
Exact Mass270.04
IUPAC Name1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)CCCCl
InChIInChI=1S/C8H15ClN2O4S/c9-2-1-3-16(14,15)11-5-6(12)4-7(11)8(10)13/h6-7,12H,1-5H2,(H2,10,13)
InChIKeyAJAYGHPEEZLQLX-UHFFFAOYSA-N
XLogP-1.13
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
(3S)-2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 61143023
methyl 1-butylsulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632656
(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61459284
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64987540
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61047580
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952079

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 60958828) is 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1S(=O)(=O)CCCCl.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is AJAYGHPEEZLQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O4S/c9-2-1-3-16(14,15)11-5-6(12)4-7(11)8(10)13/h6-7,12H,1-5H2,(H2,10,13).
What are the key properties of 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 270.74 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60958828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).