8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C14H24N4O3S — CID 91922105

IUPAC8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C14H24N4O3S/c1-17-8-12(9-21-2)14(10-17)3-5-18(6-4-14)22(19,20)13-7-15-11-16-13/h7,11-12H,3-6,8-10H2,1-2H3,(H,15,16)
InChIKeyXJCJKVNUUJBPTG-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.39
Rot. Bonds4

About 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922105) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922105
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C14H24N4O3S/c1-17-8-12(9-21-2)14(10-17)3-5-18(6-4-14)22(19,20)13-7-15-11-16-13/h7,11-12H,3-6,8-10H2,1-2H3,(H,15,16)
InChIKeyXJCJKVNUUJBPTG-UHFFFAOYSA-N
XLogP0.39
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922105) is 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2.
What is the InChIKey of 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is XJCJKVNUUJBPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-17-8-12(9-21-2)14(10-17)3-5-18(6-4-14)22(19,20)13-7-15-11-16-13/h7,11-12H,3-6,8-10H2,1-2H3,(H,15,16).
What are the key properties of 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 328.44 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).