1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine

C22H37N3O4S2 — CID 10217321

IUPAC1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H37N3O4S2/c26-30(27,23-13-21-7-15-1-16(8-21)3-17(2-15)9-21)25-31(28,29)24-14-22-10-18-4-19(11-22)6-20(5-18)12-22/h15-20,23-25H,1-14H2
InChIKeyDDJGSVOFTSVTQY-UHFFFAOYSA-N
MW471.69 g/mol
LogP2.68
Rot. Bonds8

About 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine

1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine (PubChem CID 10217321) has the molecular formula C22H37N3O4S2 and a molecular weight of 471.69 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
PubChem CID10217321
Molecular FormulaC22H37N3O4S2
Molecular Weight471.69 g/mol
Exact Mass471.22
IUPAC Name1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine
SMILESO=S(=O)(NCC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H37N3O4S2/c26-30(27,23-13-21-7-15-1-16(8-21)3-17(2-15)9-21)25-31(28,29)24-14-22-10-18-4-19(11-22)6-20(5-18)12-22/h15-20,23-25H,1-14H2
InChIKeyDDJGSVOFTSVTQY-UHFFFAOYSA-N
XLogP2.68
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.69
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3687690
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CID 61300366
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CID 24891141

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine?
The IUPAC name of 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine (CID 10217321) is 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine is O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine?
The InChIKey is DDJGSVOFTSVTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4S2/c26-30(27,23-13-21-7-15-1-16(8-21)3-17(2-15)9-21)25-31(28,29)24-14-22-10-18-4-19(11-22)6-20(5-18)12-22/h15-20,23-25H,1-14H2.
What are the key properties of 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine?
1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine has a molecular weight of 471.69 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(1-adamantylmethylsulfamoylsulfamoyl)methanamine is sourced from PubChem (CID 10217321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).