(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane

C18H28N2O2S — CID 3233423

IUPAC(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane
SMILESCC(C)CN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2O2S/c1-16(2)13-19-12-10-18(14-19)9-6-11-20(15-18)23(21,22)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t18-/m0/s1
InChIKeyJANGHJAHZHLIHX-SFHVURJKSA-N
MW336.50 g/mol
LogP2.82
Rot. Bonds4

About (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane

(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane (PubChem CID 3233423) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane
PubChem CID3233423
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane
SMILESCC(C)CN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H28N2O2S/c1-16(2)13-19-12-10-18(14-19)9-6-11-20(15-18)23(21,22)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t18-/m0/s1
InChIKeyJANGHJAHZHLIHX-SFHVURJKSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane (CID 3233423) is (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane is CC(C)CN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is JANGHJAHZHLIHX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-16(2)13-19-12-10-18(14-19)9-6-11-20(15-18)23(21,22)17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 336.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3233423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).