(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]

C15H20N2O4S — CID 45487198

IUPAC(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]
SMILESCC1=C(CNS(N)(=O)=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C15H20N2O4S/c1-8-6-10-12(11(8)7-17-22(16,20)21)9(2)15(4-5-15)14(3,19)13(10)18/h6,17,19H,4-5,7H2,1-3H3,(H2,16,20,21)/t14-/m0/s1
InChIKeyPHZXMUSQOWJONX-AWEZNQCLSA-N
MW324.40 g/mol
LogP0.47
Rot. Bonds3

About (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]

(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene] (PubChem CID 45487198) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene].

Molecular Properties

Compound Name(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]
PubChem CID45487198
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]
SMILESCC1=C(CNS(N)(=O)=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C15H20N2O4S/c1-8-6-10-12(11(8)7-17-22(16,20)21)9(2)15(4-5-15)14(3,19)13(10)18/h6,17,19H,4-5,7H2,1-3H3,(H2,16,20,21)/t14-/m0/s1
InChIKeyPHZXMUSQOWJONX-AWEZNQCLSA-N
XLogP0.47
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]?
The IUPAC name of (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene] (CID 45487198) is (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene].
What is the SMILES notation for (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]?
The canonical SMILES for (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene] is CC1=C(CNS(N)(=O)=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1.
What is the InChIKey of (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]?
The InChIKey is PHZXMUSQOWJONX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-8-6-10-12(11(8)7-17-22(16,20)21)9(2)15(4-5-15)14(3,19)13(10)18/h6,17,19H,4-5,7H2,1-3H3,(H2,16,20,21)/t14-/m0/s1.
What are the key properties of (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]?
(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene] has a molecular weight of 324.40 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene] is sourced from PubChem (CID 45487198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).