(3R)-3-methylpiperazine-1-sulfonyl chloride

C5H11ClN2O2S — CID 167734783

IUPAC(3R)-3-methylpiperazine-1-sulfonyl chloride
SMILESC[C@@H]1CN(S(=O)(=O)Cl)CCN1
InChIInChI=1S/C5H11ClN2O2S/c1-5-4-8(3-2-7-5)11(6,9)10/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyITSKNCGBOXOKAY-RXMQYKEDSA-N
MW198.67 g/mol
LogP-0.24
Rot. Bonds1

About (3R)-3-methylpiperazine-1-sulfonyl chloride

(3R)-3-methylpiperazine-1-sulfonyl chloride (PubChem CID 167734783) has the molecular formula C5H11ClN2O2S and a molecular weight of 198.67 g/mol. Its IUPAC name is (3R)-3-methylpiperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R)-3-methylpiperazine-1-sulfonyl chloride
PubChem CID167734783
Molecular FormulaC5H11ClN2O2S
Molecular Weight198.67 g/mol
Exact Mass198.02
IUPAC Name(3R)-3-methylpiperazine-1-sulfonyl chloride
SMILESC[C@@H]1CN(S(=O)(=O)Cl)CCN1
InChIInChI=1S/C5H11ClN2O2S/c1-5-4-8(3-2-7-5)11(6,9)10/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKeyITSKNCGBOXOKAY-RXMQYKEDSA-N
XLogP-0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methylpiperazine-1-sulfonyl chloride?
The IUPAC name of (3R)-3-methylpiperazine-1-sulfonyl chloride (CID 167734783) is (3R)-3-methylpiperazine-1-sulfonyl chloride.
What is the SMILES notation for (3R)-3-methylpiperazine-1-sulfonyl chloride?
The canonical SMILES for (3R)-3-methylpiperazine-1-sulfonyl chloride is C[C@@H]1CN(S(=O)(=O)Cl)CCN1.
What is the InChIKey of (3R)-3-methylpiperazine-1-sulfonyl chloride?
The InChIKey is ITSKNCGBOXOKAY-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11ClN2O2S/c1-5-4-8(3-2-7-5)11(6,9)10/h5,7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-methylpiperazine-1-sulfonyl chloride?
(3R)-3-methylpiperazine-1-sulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methylpiperazine-1-sulfonyl chloride is sourced from PubChem (CID 167734783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).