5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol

C13H28N4O3S — CID 66054078

IUPAC5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C13H28N4O3S/c1-15(2)10-12-9-13(18)11-17(12)21(19,20)8-7-16-5-3-14-4-6-16/h12-14,18H,3-11H2,1-2H3
InChIKeyYJYVLPMFIUCCGW-UHFFFAOYSA-N
MW320.46 g/mol
LogP-1.78
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol (PubChem CID 66054078) has the molecular formula C13H28N4O3S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
PubChem CID66054078
Molecular FormulaC13H28N4O3S
Molecular Weight320.46 g/mol
Exact Mass320.19
IUPAC Name5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C13H28N4O3S/c1-15(2)10-12-9-13(18)11-17(12)21(19,20)8-7-16-5-3-14-4-6-16/h12-14,18H,3-11H2,1-2H3
InChIKeyYJYVLPMFIUCCGW-UHFFFAOYSA-N
XLogP-1.78
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
CID 62887804
1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054631
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]sulfonylbutanoic acid
CID 66054216
5-[(dimethylamino)methyl]-1-(2,2-dimethylpropylsulfonyl)pyrrolidin-3-ol
CID 66052398
1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052985
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
CID 106670197
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
CID 66053947
5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
CID 66052984
5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol
CID 66052749

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol (CID 66054078) is 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is YJYVLPMFIUCCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O3S/c1-15(2)10-12-9-13(18)11-17(12)21(19,20)8-7-16-5-3-14-4-6-16/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 320.46 g/mol, XLogP of -1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 66054078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).