(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane

C15H21ClN2O2S — CID 95229749

IUPAC(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@@]2(CCCNC2)C1
InChIInChI=1S/C15H21ClN2O2S/c16-14-4-2-13(3-5-14)10-21(19,20)18-9-7-15(12-18)6-1-8-17-11-15/h2-5,17H,1,6-12H2/t15-/m1/s1
InChIKeyIOEWQCNXTQVGKM-OAHLLOKOSA-N
MW328.86 g/mol
LogP2.25
Rot. Bonds3

About (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane

(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane (PubChem CID 95229749) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane
PubChem CID95229749
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC Name(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@@]2(CCCNC2)C1
InChIInChI=1S/C15H21ClN2O2S/c16-14-4-2-13(3-5-14)10-21(19,20)18-9-7-15(12-18)6-1-8-17-11-15/h2-5,17H,1,6-12H2/t15-/m1/s1
InChIKeyIOEWQCNXTQVGKM-OAHLLOKOSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane (CID 95229749) is (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane is O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@@]2(CCCNC2)C1.
What is the InChIKey of (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is IOEWQCNXTQVGKM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-14-4-2-13(3-5-14)10-21(19,20)18-9-7-15(12-18)6-1-8-17-11-15/h2-5,17H,1,6-12H2/t15-/m1/s1.
What are the key properties of (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane?
(5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 328.86 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(4-chlorophenyl)methylsulfonyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95229749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).