(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol

C12H20N2O4S — CID 100909732

IUPAC(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@@H](C)C1
InChIInChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLAQLPLMQVXULII-QWRGUYRKSA-N
MW288.37 g/mol
LogP0.36
Rot. Bonds4

About (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol

(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol (PubChem CID 100909732) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
PubChem CID100909732
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@@H](C)C1
InChIInChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyLAQLPLMQVXULII-QWRGUYRKSA-N
XLogP0.36
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol (CID 100909732) is (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(S(=O)(=O)c2ccco2)[C@@H](C)C1.
What is the InChIKey of (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is LAQLPLMQVXULII-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 288.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 100909732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).