N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine

C13H28N4O2S — CID 62887804

IUPACN,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C13H28N4O2S/c1-15(2)12-13-4-3-7-17(13)20(18,19)11-10-16-8-5-14-6-9-16/h13-14H,3-12H2,1-2H3
InChIKeyOXDUOOOAFJNJJN-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.75
Rot. Bonds6

About N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine

N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine (PubChem CID 62887804) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
PubChem CID62887804
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC NameN,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C13H28N4O2S/c1-15(2)12-13-4-3-7-17(13)20(18,19)11-10-16-8-5-14-6-9-16/h13-14H,3-12H2,1-2H3
InChIKeyOXDUOOOAFJNJJN-UHFFFAOYSA-N
XLogP-0.75
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
CID 54972040
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889427
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylbutanoic acid
CID 62886094
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
4-[2-(2-ethylpyrrolidin-1-yl)sulfonylethyl]piperidine
CID 54885840
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
CID 54972478
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
1-[1-[[2-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62886268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine (CID 62887804) is N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine is CN(C)CC1CCCN1S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine?
The InChIKey is OXDUOOOAFJNJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c1-15(2)12-13-4-3-7-17(13)20(18,19)11-10-16-8-5-14-6-9-16/h13-14H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine?
N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62887804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).