1-adamantyloxysulfonyl(methylsulfonyl)azanide

C11H18NO5S2- — CID 140797852

IUPAC1-adamantyloxysulfonyl(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18NO5S2/c1-18(13,14)12-19(15,16)17-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1
InChIKeyVDYYVLNTDFUQJU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.55
Rot. Bonds4

About 1-adamantyloxysulfonyl(methylsulfonyl)azanide

1-adamantyloxysulfonyl(methylsulfonyl)azanide (PubChem CID 140797852) has the molecular formula C11H18NO5S2- and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-adamantyloxysulfonyl(methylsulfonyl)azanide.

Molecular Properties

Compound Name1-adamantyloxysulfonyl(methylsulfonyl)azanide
PubChem CID140797852
Molecular FormulaC11H18NO5S2-
Molecular Weight308.40 g/mol
Exact Mass308.06
IUPAC Name1-adamantyloxysulfonyl(methylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18NO5S2/c1-18(13,14)12-19(15,16)17-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1
InChIKeyVDYYVLNTDFUQJU-UHFFFAOYSA-N
XLogP1.55
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyloxysulfonyl(methylsulfonyl)azanide?
The IUPAC name of 1-adamantyloxysulfonyl(methylsulfonyl)azanide (CID 140797852) is 1-adamantyloxysulfonyl(methylsulfonyl)azanide.
What is the SMILES notation for 1-adamantyloxysulfonyl(methylsulfonyl)azanide?
The canonical SMILES for 1-adamantyloxysulfonyl(methylsulfonyl)azanide is CS(=O)(=O)[N-]S(=O)(=O)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyloxysulfonyl(methylsulfonyl)azanide?
The InChIKey is VDYYVLNTDFUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO5S2/c1-18(13,14)12-19(15,16)17-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1.
What are the key properties of 1-adamantyloxysulfonyl(methylsulfonyl)azanide?
1-adamantyloxysulfonyl(methylsulfonyl)azanide has a molecular weight of 308.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyloxysulfonyl(methylsulfonyl)azanide is sourced from PubChem (CID 140797852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).