(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane

C17H34N2O3S — CID 97399630

IUPAC(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)C[C@H](COC)N(C(C)C)C2
InChIInChI=1S/C17H34N2O3S/c1-5-6-11-23(20,21)18-9-7-17(8-10-18)12-16(13-22-4)19(14-17)15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyGGCZCSDERDEJIV-MRXNPFEDSA-N
MW346.54 g/mol
LogP2.33
Rot. Bonds7

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

(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97399630) has the molecular formula C17H34N2O3S and a molecular weight of 346.54 g/mol. Its IUPAC name is (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97399630
Molecular FormulaC17H34N2O3S
Molecular Weight346.54 g/mol
Exact Mass346.23
IUPAC Name(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
SMILESCCCCS(=O)(=O)N1CCC2(CC1)C[C@H](COC)N(C(C)C)C2
InChIInChI=1S/C17H34N2O3S/c1-5-6-11-23(20,21)18-9-7-17(8-10-18)12-16(13-22-4)19(14-17)15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyGGCZCSDERDEJIV-MRXNPFEDSA-N
XLogP2.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane (CID 97399630) is (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is CCCCS(=O)(=O)N1CCC2(CC1)C[C@H](COC)N(C(C)C)C2.
What is the InChIKey of (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is GGCZCSDERDEJIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N2O3S/c1-5-6-11-23(20,21)18-9-7-17(8-10-18)12-16(13-22-4)19(14-17)15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane?
(3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 346.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-butylsulfonyl-3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97399630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).