(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

C17H26N2O3S — CID 3232816

IUPAC(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCOc1ccccc1CN1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-22-16-7-4-3-6-15(16)12-18-11-9-17(13-18)8-5-10-19(14-17)23(2,20)21/h3-4,6-7H,5,8-14H2,1-2H3/t17-/m0/s1
InChIKeyDQLIXQYVHSOHLD-KRWDZBQOSA-N
MW338.47 g/mol
LogP1.94
Rot. Bonds4

About (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane

(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 3232816) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID3232816
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
SMILESCOc1ccccc1CN1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-22-16-7-4-3-6-15(16)12-18-11-9-17(13-18)8-5-10-19(14-17)23(2,20)21/h3-4,6-7H,5,8-14H2,1-2H3/t17-/m0/s1
InChIKeyDQLIXQYVHSOHLD-KRWDZBQOSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-N-octylethanesulfonamide
CID 45479979
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
1-((2-Methoxyphenyl)methyl)pyrrolidine
CID 782385
Piperidine, 1-((2-methoxyphenyl)methyl)-
CID 207115
4-(2-Methoxybenzyl)thiomorpholine
CID 764944
7-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 3232725
9-[(2-Methoxyphenyl)methyl]-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
CID 3233639
2-[(2-Methoxyphenyl)methyl]-9-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 3233644
(5S)-7-(benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 3233654
3-(Benzenesulfonyl)-9-[(2-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 3234428
9-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3234652
N-(2-Phenoxy-benzyl)-N-(S)-pyrrolidin-3-yl-methanesulfonamide
CID 44578318

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane (CID 3232816) is (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is COc1ccccc1CN1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is DQLIXQYVHSOHLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-16-7-4-3-6-15(16)12-18-11-9-17(13-18)8-5-10-19(14-17)23(2,20)21/h3-4,6-7H,5,8-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane?
(5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 338.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2-methoxyphenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3232816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).