1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one

C10H18N2OS — CID 107024691

IUPAC1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
SMILESCC(S)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H18N2OS/c1-8(14)10(13)12-6-4-11(5-7-12)9-2-3-9/h8-9,14H,2-7H2,1H3
InChIKeyWHWOSHXIMIUAET-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.61
Rot. Bonds2

About 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one

1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one (PubChem CID 107024691) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
PubChem CID107024691
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
SMILESCC(S)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H18N2OS/c1-8(14)10(13)12-6-4-11(5-7-12)9-2-3-9/h8-9,14H,2-7H2,1H3
InChIKeyWHWOSHXIMIUAET-UHFFFAOYSA-N
XLogP0.61
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
N-[1-(4-cyclopropylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769233
1-(4-cyclopropylpiperazin-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62851691
2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76925389
2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
CID 119887481
1-(4-cyclopentylpiperazin-1-yl)-2-ethylbutan-1-one
CID 110708879
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76941688
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one (CID 107024691) is 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one is CC(S)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one?
The InChIKey is WHWOSHXIMIUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(14)10(13)12-6-4-11(5-7-12)9-2-3-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one?
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one has a molecular weight of 214.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one is sourced from PubChem (CID 107024691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).