(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine

C8H16N2O2S — CID 82755088

IUPAC(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyVNJPRXDZEDZYOS-MRVPVSSYSA-N
MW204.29 g/mol
LogP-0.20
Rot. Bonds3

About (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine

(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine (PubChem CID 82755088) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
PubChem CID82755088
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyVNJPRXDZEDZYOS-MRVPVSSYSA-N
XLogP-0.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-but-3-enylsulfonyl-2-methylpiperazine
CID 99602422
1-(3,3-dimethylbutylsulfonyl)-2-methylpiperazine
CID 103828936
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
2-methyl-1-(2-methylbutylsulfonyl)piperazine
CID 119970041
(2R)-1-(cyclohexylmethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 120717011
1-(2-ethoxyethylsulfonyl)-2-methylpiperazine;hydrochloride
CID 119969815
methyl 3-[(2S)-2-methylpiperazin-1-yl]sulfonylpropanoate
CID 82755874
4-(2-methylpiperazin-1-yl)sulfonylmorpholine
CID 62674194
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
4-[[(2R)-2-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 82755488
1-butylsulfonyl-2-methyl-1,4-diazepane
CID 82243284
2,6-dimethyl-4-(2-methylpiperazin-1-yl)sulfonylmorpholine;hydrochloride
CID 119969720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine?
The IUPAC name of (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine (CID 82755088) is (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine?
The canonical SMILES for (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine?
The InChIKey is VNJPRXDZEDZYOS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-6-13(11,12)10-5-4-9-7-8(10)2/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine?
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine has a molecular weight of 204.29 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 82755088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).