(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C17H26N2O5S — CID 97373139

IUPAC(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOc1ccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)cc1
InChIInChI=1S/C17H26N2O5S/c1-22-16-5-3-15(4-6-16)11-18-7-10-24-17(12-18)13-19(25(2,20)21)8-9-23-14-17/h3-6H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyMPPMUCAVNSQSDJ-KRWDZBQOSA-N
MW370.47 g/mol
LogP0.56
Rot. Bonds4

About (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373139) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97373139
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOc1ccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)cc1
InChIInChI=1S/C17H26N2O5S/c1-22-16-5-3-15(4-6-16)11-18-7-10-24-17(12-18)13-19(25(2,20)21)8-9-23-14-17/h3-6H,7-14H2,1-2H3/t17-/m0/s1
InChIKeyMPPMUCAVNSQSDJ-KRWDZBQOSA-N
XLogP0.56
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

(6S)-4-[(4-methoxyphenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372995
4-[(5-methylfuran-2-yl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118743620
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651
(6S)-8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373129
(6R)-8-methylsulfonyl-4-(pyridin-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373142
4-[(4-methoxyphenyl)methyl]-10,10-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 175903976
4-[(3-methoxyphenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877754
8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877545
8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155845848
N-[[(3S,5S)-7-[(4-methoxyphenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]-N-methylpropan-2-amine
CID 97375228
(6R)-4-methylsulfonyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97495133
8-cyclopropylsulfonyl-4-(furan-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070478

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373139) is (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COc1ccc(CN2CCO[C@@]3(COCCN(S(C)(=O)=O)C3)C2)cc1.
What is the InChIKey of (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is MPPMUCAVNSQSDJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-22-16-5-3-15(4-6-16)11-18-7-10-24-17(12-18)13-19(25(2,20)21)8-9-23-14-17/h3-6H,7-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 370.47 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).