(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C12H20N2O4S — CID 97152330

IUPAC(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1
InChIInChI=1S/C12H20N2O4S/c15-11(16)10-7-12(8-13-10)3-5-14(6-4-12)19(17,18)9-1-2-9/h9-10,13H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyGJEFSMUEPUNISL-SNVBAGLBSA-N
MW288.37 g/mol
LogP0.01
Rot. Bonds3

About (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97152330) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97152330
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1
InChIInChI=1S/C12H20N2O4S/c15-11(16)10-7-12(8-13-10)3-5-14(6-4-12)19(17,18)9-1-2-9/h9-10,13H,1-8H2,(H,15,16)/t10-/m1/s1
InChIKeyGJEFSMUEPUNISL-SNVBAGLBSA-N
XLogP0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97152330) is (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1.
What is the InChIKey of (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GJEFSMUEPUNISL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O4S/c15-11(16)10-7-12(8-13-10)3-5-14(6-4-12)19(17,18)9-1-2-9/h9-10,13H,1-8H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97152330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).