1-cyclopropylsulfinyl-2,4-dimethylpiperazine

C9H18N2OS — CID 145145542

IUPAC1-cyclopropylsulfinyl-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1S(=O)C1CC1
InChIInChI=1S/C9H18N2OS/c1-8-7-10(2)5-6-11(8)13(12)9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyHOQWBSJNIXWPSY-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.45
Rot. Bonds2

About 1-cyclopropylsulfinyl-2,4-dimethylpiperazine

1-cyclopropylsulfinyl-2,4-dimethylpiperazine (PubChem CID 145145542) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-cyclopropylsulfinyl-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-cyclopropylsulfinyl-2,4-dimethylpiperazine
PubChem CID145145542
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-cyclopropylsulfinyl-2,4-dimethylpiperazine
SMILESCC1CN(C)CCN1S(=O)C1CC1
InChIInChI=1S/C9H18N2OS/c1-8-7-10(2)5-6-11(8)13(12)9-3-4-9/h8-9H,3-7H2,1-2H3
InChIKeyHOQWBSJNIXWPSY-UHFFFAOYSA-N
XLogP0.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfinyl-2,4-dimethylpiperazine?
The IUPAC name of 1-cyclopropylsulfinyl-2,4-dimethylpiperazine (CID 145145542) is 1-cyclopropylsulfinyl-2,4-dimethylpiperazine.
What is the SMILES notation for 1-cyclopropylsulfinyl-2,4-dimethylpiperazine?
The canonical SMILES for 1-cyclopropylsulfinyl-2,4-dimethylpiperazine is CC1CN(C)CCN1S(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfinyl-2,4-dimethylpiperazine?
The InChIKey is HOQWBSJNIXWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-8-7-10(2)5-6-11(8)13(12)9-3-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropylsulfinyl-2,4-dimethylpiperazine?
1-cyclopropylsulfinyl-2,4-dimethylpiperazine has a molecular weight of 202.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfinyl-2,4-dimethylpiperazine is sourced from PubChem (CID 145145542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).