N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine

C12H26N4O2S — CID 63542029

IUPACN,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)CCN2CCNCC2)C1
InChIInChI=1S/C12H26N4O2S/c1-14(2)12-3-6-16(11-12)19(17,18)10-9-15-7-4-13-5-8-15/h12-13H,3-11H2,1-2H3
InChIKeyVVNPANGEAUKSFB-UHFFFAOYSA-N
MW290.43 g/mol
LogP-1.14
Rot. Bonds5

About N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine

N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine (PubChem CID 63542029) has the molecular formula C12H26N4O2S and a molecular weight of 290.43 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
PubChem CID63542029
Molecular FormulaC12H26N4O2S
Molecular Weight290.43 g/mol
Exact Mass290.18
IUPAC NameN,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)CCN2CCNCC2)C1
InChIInChI=1S/C12H26N4O2S/c1-14(2)12-3-6-16(11-12)19(17,18)10-9-15-7-4-13-5-8-15/h12-13H,3-11H2,1-2H3
InChIKeyVVNPANGEAUKSFB-UHFFFAOYSA-N
XLogP-1.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine (CID 63542029) is N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine is CN(C)C1CCN(S(=O)(=O)CCN2CCNCC2)C1.
What is the InChIKey of N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine?
The InChIKey is VVNPANGEAUKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S/c1-14(2)12-3-6-16(11-12)19(17,18)10-9-15-7-4-13-5-8-15/h12-13H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine?
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine has a molecular weight of 290.43 g/mol, XLogP of -1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 63542029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).