3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine

C10H21N3O2S — CID 63872906

IUPAC3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC1CN(S(=O)(=O)N2CCCC2)CC(C)N1
InChIInChI=1S/C10H21N3O2S/c1-9-7-13(8-10(2)11-9)16(14,15)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3
InChIKeyZHTPWYJJTQZYIW-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.01
Rot. Bonds2

About 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine

3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 63872906) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID63872906
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
SMILESCC1CN(S(=O)(=O)N2CCCC2)CC(C)N1
InChIInChI=1S/C10H21N3O2S/c1-9-7-13(8-10(2)11-9)16(14,15)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3
InChIKeyZHTPWYJJTQZYIW-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
(3R,5S)-1-ethylsulfonyl-3,5-dimethylpiperazine
CID 131076534
5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211620
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
3-pyrrolidin-1-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989191
ethyl 1-(3,5-dimethylpiperazin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 63871963
(3aS,6aS)-5-(azepan-1-ylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 43602957
4-methyl-1-piperidin-1-ylsulfonylpyrazolidin-3-one
CID 134120945

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine (CID 63872906) is 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine is CC1CN(S(=O)(=O)N2CCCC2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is ZHTPWYJJTQZYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9-7-13(8-10(2)11-9)16(14,15)12-5-3-4-6-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine?
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 247.36 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 63872906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).