1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol

C12H24N2O3S — CID 136546247

IUPAC1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)C2(C)CC2)CC1C
InChIInChI=1S/C12H24N2O3S/c1-10-8-14(7-6-13(10)9-11(2)15)18(16,17)12(3)4-5-12/h10-11,15H,4-9H2,1-3H3
InChIKeyTYXREEKHHHIFJZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.26
Rot. Bonds4

About 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol

1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 136546247) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID136546247
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)C2(C)CC2)CC1C
InChIInChI=1S/C12H24N2O3S/c1-10-8-14(7-6-13(10)9-11(2)15)18(16,17)12(3)4-5-12/h10-11,15H,4-9H2,1-3H3
InChIKeyTYXREEKHHHIFJZ-UHFFFAOYSA-N
XLogP0.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
1-(1-methylcyclopropyl)sulfonyl-4-propan-2-ylpiperazine
CID 126752890
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
(3-aminocyclopentyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 119880090
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880091
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
1-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]propan-2-ol
CID 131165895
N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
CID 124742766

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 136546247) is 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(S(=O)(=O)C2(C)CC2)CC1C.
What is the InChIKey of 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is TYXREEKHHHIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-8-14(7-6-13(10)9-11(2)15)18(16,17)12(3)4-5-12/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 276.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(1-methylcyclopropyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 136546247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).