[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

C13H25N3O4S — CID 66053165

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-14(2)8-10-7-11(17)9-15(10)13(18)12-5-4-6-16(12)21(3,19)20/h10-12,17H,4-9H2,1-3H3
InChIKeyWCLUOIGVPQGCHB-UHFFFAOYSA-N
MW319.43 g/mol
LogP-1.07
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 66053165) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
PubChem CID66053165
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-14(2)8-10-7-11(17)9-15(10)13(18)12-5-4-6-16(12)21(3,19)20/h10-12,17H,4-9H2,1-3H3
InChIKeyWCLUOIGVPQGCHB-UHFFFAOYSA-N
XLogP-1.07
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 66053156
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone
CID 114084952
2-bicyclo[2.2.1]heptanyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66053359
[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 79030040
5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
CID 66053947
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056815
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62468441
(4-amino-3-methylcyclohexyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052618
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (CID 66053165) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is CN(C)CC1CC(O)CN1C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is WCLUOIGVPQGCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-14(2)8-10-7-11(17)9-15(10)13(18)12-5-4-6-16(12)21(3,19)20/h10-12,17H,4-9H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 66053165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).