5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol

C13H27N3O3S — CID 66053947

IUPAC5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
SMILESCC1CCCCN1S(=O)(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C13H27N3O3S/c1-11-6-4-5-7-15(11)20(18,19)16-10-13(17)8-12(16)9-14(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyJBKZDSZFBNNGMZ-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.10
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol (PubChem CID 66053947) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
PubChem CID66053947
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
SMILESCC1CCCCN1S(=O)(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C13H27N3O3S/c1-11-6-4-5-7-15(11)20(18,19)16-10-13(17)8-12(16)9-14(2)3/h11-13,17H,4-10H2,1-3H3
InChIKeyJBKZDSZFBNNGMZ-UHFFFAOYSA-N
XLogP0.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052985
1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054631
5-[(dimethylamino)methyl]-1-(2,2-dimethylpropylsulfonyl)pyrrolidin-3-ol
CID 66052398
5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
CID 66052984
1-cyclopentyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051873
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 66053165
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 66053371
1-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,4-diazepane
CID 94021502
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
cyclohexyl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052753
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol (CID 66053947) is 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol is CC1CCCCN1S(=O)(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is JBKZDSZFBNNGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11-6-4-5-7-15(11)20(18,19)16-10-13(17)8-12(16)9-14(2)3/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 305.44 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66053947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).