5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine

C20H30N2O2S — CID 134204267

IUPAC5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine
SMILESCC(C)CC12CC3CC(C1)C(NS(=O)(=O)Nc1ccccc1)C(C3)C2
InChIInChI=1S/C20H30N2O2S/c1-14(2)10-20-11-15-8-16(12-20)19(17(9-15)13-20)22-25(23,24)21-18-6-4-3-5-7-18/h3-7,14-17,19,21-22H,8-13H2,1-2H3
InChIKeyCSAGNXZHFPVKSD-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.17
Rot. Bonds6

About 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine

5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine (PubChem CID 134204267) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine
PubChem CID134204267
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine
SMILESCC(C)CC12CC3CC(C1)C(NS(=O)(=O)Nc1ccccc1)C(C3)C2
InChIInChI=1S/C20H30N2O2S/c1-14(2)10-20-11-15-8-16(12-20)19(17(9-15)13-20)22-25(23,24)21-18-6-4-3-5-7-18/h3-7,14-17,19,21-22H,8-13H2,1-2H3
InChIKeyCSAGNXZHFPVKSD-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine (CID 134204267) is 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine is CC(C)CC12CC3CC(C1)C(NS(=O)(=O)Nc1ccccc1)C(C3)C2.
What is the InChIKey of 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine?
The InChIKey is CSAGNXZHFPVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-14(2)10-20-11-15-8-16(12-20)19(17(9-15)13-20)22-25(23,24)21-18-6-4-3-5-7-18/h3-7,14-17,19,21-22H,8-13H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine?
5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine has a molecular weight of 362.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(phenylsulfamoyl)adamantan-2-amine is sourced from PubChem (CID 134204267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).