1-propan-2-ylsulfinylpiperazine

C7H16N2OS — CID 83695834

IUPAC1-propan-2-ylsulfinylpiperazine
SMILESCC(C)S(=O)N1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-7(2)11(10)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyUPRGYPXFRDUGMX-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.04
Rot. Bonds2

About 1-propan-2-ylsulfinylpiperazine

1-propan-2-ylsulfinylpiperazine (PubChem CID 83695834) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-propan-2-ylsulfinylpiperazine.

Molecular Properties

Compound Name1-propan-2-ylsulfinylpiperazine
PubChem CID83695834
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-propan-2-ylsulfinylpiperazine
SMILESCC(C)S(=O)N1CCNCC1
InChIInChI=1S/C7H16N2OS/c1-7(2)11(10)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyUPRGYPXFRDUGMX-UHFFFAOYSA-N
XLogP-0.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Ethanesulfonyl)piperazine
CID 415294
1-(1-Propanesulfonyl)piperazine
CID 832241
1-(Propane-2-sulfonyl)piperazine hydrochloride
CID 46743460
1-(Ethanesulfonyl)piperazine hydrochloride
CID 46743465
1-(Propane-1-sulfonyl)piperazine hydrochloride
CID 46743466
2-(4-Methylpiperazine-1-sulfonyl)ethan-1-amine
CID 22692376
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
1-(Isopropylsulfonyl)piperazine
CID 22562851
1-(2-Methanesulfinylethyl)piperazine
CID 51342128
1,4-Dimethylpiperazinium butyl sulfonate
CID 155817884
Piperazinium butanesulfonate
CID 168477358
1-(Piperazinylsulfonyl)eth-2-ylamine
CID 16762501

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfinylpiperazine?
The IUPAC name of 1-propan-2-ylsulfinylpiperazine (CID 83695834) is 1-propan-2-ylsulfinylpiperazine.
What is the SMILES notation for 1-propan-2-ylsulfinylpiperazine?
The canonical SMILES for 1-propan-2-ylsulfinylpiperazine is CC(C)S(=O)N1CCNCC1.
What is the InChIKey of 1-propan-2-ylsulfinylpiperazine?
The InChIKey is UPRGYPXFRDUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(2)11(10)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfinylpiperazine?
1-propan-2-ylsulfinylpiperazine has a molecular weight of 176.28 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfinylpiperazine is sourced from PubChem (CID 83695834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).