(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C16H28N4O3S — CID 124820856

IUPAC(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C16H28N4O3S/c1-18-9-14(8-17-18)10-19-6-4-16(5-7-19)13-20(24(3,21)22)11-15(16)12-23-2/h8-9,15H,4-7,10-13H2,1-3H3/t15-/m0/s1
InChIKeyVDFXPNJXRWFQPK-HNNXBMFYSA-N
MW356.49 g/mol
LogP0.54
Rot. Bonds5

About (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 124820856) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID124820856
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C16H28N4O3S/c1-18-9-14(8-17-18)10-19-6-4-16(5-7-19)13-20(24(3,21)22)11-15(16)12-23-2/h8-9,15H,4-7,10-13H2,1-3H3/t15-/m0/s1
InChIKeyVDFXPNJXRWFQPK-HNNXBMFYSA-N
XLogP0.54
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(4S)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]methyl]-4-methyl-1,3-thiazole
CID 124811620
8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131678387
8-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155823722
5-[(4S)-4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-2-carbonitrile
CID 124798294
4-(cyclopropylmethoxymethyl)-2-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155863614
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
[4-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 131651865
(5R)-3-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-13-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360560
8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
2-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decane
CID 91915843

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 124820856) is (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is VDFXPNJXRWFQPK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-18-9-14(8-17-18)10-19-6-4-16(5-7-19)13-20(24(3,21)22)11-15(16)12-23-2/h8-9,15H,4-7,10-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?
(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.49 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 124820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).