(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C14H28N2O3S — CID 97375034

IUPAC(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1C(C)C
InChIInChI=1S/C14H28N2O3S/c1-12(2)16-11-14(9-13(16)10-19-3)5-7-15(8-6-14)20(4,17)18/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyLMYHGBPGQDYLQM-ZDUSSCGKSA-N
MW304.46 g/mol
LogP1.16
Rot. Bonds4

About (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane

(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97375034) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97375034
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1C(C)C
InChIInChI=1S/C14H28N2O3S/c1-12(2)16-11-14(9-13(16)10-19-3)5-7-15(8-6-14)20(4,17)18/h12-13H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyLMYHGBPGQDYLQM-ZDUSSCGKSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 97375034) is (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CC2(CCN(S(C)(=O)=O)CC2)CN1C(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is LMYHGBPGQDYLQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)16-11-14(9-13(16)10-19-3)5-7-15(8-6-14)20(4,17)18/h12-13H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
(3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 304.46 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-8-methylsulfonyl-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97375034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).