(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one

C15H28N2O4S — CID 124742277

IUPAC(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C15H28N2O4S/c1-11(2)22(20,21)12(3)15(19)17-9-7-16(8-10-17)13-5-4-6-14(13)18/h11-14,18H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyXHELAAMMOMOOEE-HZSPNIEDSA-N
MW332.47 g/mol
LogP0.26
Rot. Bonds4

About (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one

(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one (PubChem CID 124742277) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one
PubChem CID124742277
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Name(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C15H28N2O4S/c1-11(2)22(20,21)12(3)15(19)17-9-7-16(8-10-17)13-5-4-6-14(13)18/h11-14,18H,4-10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyXHELAAMMOMOOEE-HZSPNIEDSA-N
XLogP0.26
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one?
The IUPAC name of (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one (CID 124742277) is (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one?
The canonical SMILES for (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one is CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1.
What is the InChIKey of (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one?
The InChIKey is XHELAAMMOMOOEE-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-11(2)22(20,21)12(3)15(19)17-9-7-16(8-10-17)13-5-4-6-14(13)18/h11-14,18H,4-10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one?
(2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one has a molecular weight of 332.47 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-2-propan-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 124742277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).